Vitas-M small molecule compound

2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK046807
SMILES COc1ccc(cc1OC)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)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 C27H27N5O3S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3S/c1-18-5-10-21(11-6-18)26-30-31-27(32(26)22-12-7-19(2)8-13-22)36-17-25(33)29-28-16-20-9-14-23(34-3)24(15-20)35-4/h5-16H,17H2,1-4H3,(H,29,33)/b28-16+
InChIKey
QYXZMBAZCCNOOM-LQKURTRISA-N
Synonyms
498544-55-1
(E)2((45diptolyl4H124triazol3yl)thio)N(34dimethoxybenzylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(34DIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(34DIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
498544551
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=CC(=C(C=C4)OC)OC
COc1ccc(cc1OC)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C
InChI=1SC27H27N5O3Sc11851021(11618)26303127(32(26)2212719(2)81322)361725(33)2928162091423(343)24(1520)354h516H17H214H3(H2933)b2816+
MFCD03220910
N((1E)2(34DIMETHOXYPHENYL)1AZAVINYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK046807
ZINC000002321842
ZINC33360549

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Available files

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