Catalog Number:
AG008TI2
Chemical Name:
MK-2894 Sodium
CAS Number:
1006036-88-9
Molecular Formula:
C25H21F3NNaO3S
Molecular Weight:
495.4891
MDL Number:
MFCD18251428
IUPAC Name:
sodium;4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoate
InChI:
InChI=1S/C25H22F3NO3S.Na/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32;/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32);/q;+1/p-1
InChI Key:
RQRUUNKVGDVBFV-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C.[Na+]
