Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Catalog ID
STK100805
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)C(=O)O)nnc1c1ccc(cc1)C(C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H29N5O4S MW 543.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O4S/c1-29(2,3)22-11-9-20(10-12-22)26-32-33-28(34(26)23-13-15-24(38-4)16-14-23)39-18-25(35)31-30-17-19-5-7-21(8-6-19)27(36)37/h5-17H,18H2,1-4H3,(H,31,35)(H,36,37)/b30-17+InChIKey
IFBPLVFWGRZSEK-OCSSWDANSA-NSynonyms
488715-25-9(E)4((2(2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
4((E)((2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
4((E)(2(((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
488715259
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)O
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2)C(=O)O)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC29H29N5O4Sc129(23)2211920(101222)26323328(34(26)23131524(384)161423)391825(35)313017195721(8619)27(36)37h517H18H214H3(H3135)(H3637)b3017+
MFCD03220018
ZINC000002336392
ZINC58993590
Check stock
See real-time availability and sample size for STK100805 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.