Vitas-M small molecule compound
2-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Catalog ID
STK110201
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccccc2C(=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)21-11-9-19(10-12-21)26-32-33-28(34(26)22-13-15-23(38-4)16-14-22)39-18-25(35)31-30-17-20-7-5-6-8-24(20)27(36)37/h5-17H,18H2,1-4H3,(H,31,35)(H,36,37)/b30-17+InChIKey
CHAGZOXVLAVILF-OCSSWDANSA-NSynonyms
488841-79-8(E)2((2(2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
2((1E)2(2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
2((E)((2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2(((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=CC=CC=C4C(=O)O
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccccc2C(=O)O)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC29H29N5O4Sc129(23)2111919(101221)26323328(34(26)22131523(384)161422)391825(35)31301720756824(20)27(36)37h517H18H214H3(H3135)(H3637)b3017+
ZINC4468432
Check stock
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Check stock on Vitas-MAvailable files
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