Vitas-M small molecule compound
2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide
Catalog ID
STK086322
SMILES COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)OC
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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/c1-18-5-9-20(10-6-18)26-30-31-27(32(26)22-11-7-19(2)8-12-22)36-17-25(33)29-28-16-21-15-23(34-3)13-14-24(21)35-4/h5-16H,17H2,1-4H3,(H,29,33)/b28-16+InChIKey
BJRSTUSONMIKTI-LQKURTRISA-NSynonyms
489397-57-1(E)2((45diptolyl4H124triazol3yl)thio)N(25dimethoxybenzylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(25DIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(25DIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
489397571
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=C(C=CC(=C4)OC)OC
COc1ccc(cc1C=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)OC
InChI=1SC27H27N5O3Sc1185920(10618)26303127(32(26)2211719(2)81222)361725(33)292816211523(343)131424(21)354h516H17H214H3(H2933)b2816+
MFCD03220926
STK086322
ZINC000001867491
ZINC33345642
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