Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide

Catalog ID
STK108113
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/C(=C/c2ccccc2)/C)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 C31H33N5O2S MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O2S/c1-22(19-23-9-7-6-8-10-23)20-32-33-28(37)21-39-30-35-34-29(24-11-13-25(14-12-24)31(2,3)4)36(30)26-15-17-27(38-5)18-16-26/h6-20H,21H2,1-5H3,(H,33,37)/b22-19+,32-20+
InChIKey
DAPCBHJHLFBTCO-OFOHDJKNSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N((Z)2methyl3phenylallylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)((E)2METHYL3PHENYLPROP2ENYLIDENE)AMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E2E)2METHYL3PHENYLPROP2EN1YLIDENE)ACETOHYDRAZIDE
CC(=CC1=CC=CC=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C
COc1ccc(cc1)n1c(SCC(=O)NN=CC(=Cc2ccccc2)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC31H33N5O2Sc122(192397681023)20323328(37)213930353429(24111325(141224)31(23)4)36(30)26151727(385)181626h620H21H215H3(H3337)b2219+3220+
MFCD03220069
N((1E3E)3METHYL4PHENYL1AZABUTA13DIENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000100853265
ZINC101511564

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Available files

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