Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-phenylethylidene]acetohydrazide

Catalog ID
STK104755
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=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 C29H31N5O2S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2S/c1-20(21-9-7-6-8-10-21)30-31-26(35)19-37-28-33-32-27(22-11-13-23(14-12-22)29(2,3)4)34(28)24-15-17-25(36-5)18-16-24/h6-18H,19H2,1-5H3,(H,31,35)/b30-20-
InChIKey
MLIHSBNVBFCDBH-COEJQBHMSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(1phenylethylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)1PHENYLETHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1Z)1PHENYLETHYLIDENE)ACETOHYDRAZIDE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4
COc1ccc(cc1)n1c(SCC(=O)NN=C(c2ccccc2)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC29H31N5O2Sc120(2197681021)303126(35)193728333227(22111323(141222)29(23)4)34(28)24151725(365)181624h618H19H215H3(H3135)b3020
MFCD03220047
N((1Z)2PHENYL1AZAPROP1ENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009762837
ZINC08818347
ZINC8818347

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Available files

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