Catalog Number:
AG0028BC
Chemical Name:
JQ-1 carboxylic acid
CAS Number:
202592-23-2
Molecular Formula:
C19H17ClN4O2S
Molecular Weight:
400.8819
MDL Number:
MFCD28167916
IUPAC Name:
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acid
InChI:
InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1
InChI Key:
LJOSBOOJFIRCSO-AWEZNQCLSA-N
SMILES:
OC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C
