Vitas-M small molecule compound
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Catalog ID
STK084730
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2ccc(cc2)C)cc(c1OC)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 C27H27N5O4S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4S/c1-18-10-12-20(13-11-18)26-30-31-27(32(26)21-8-6-5-7-9-21)37-17-24(33)29-28-16-19-14-22(34-2)25(36-4)23(15-19)35-3/h5-16H,17H2,1-4H3,(H,29,33)/b28-16+InChIKey
MWJDTIKJUOOZIU-LQKURTRISA-NSynonyms
314287-51-9(E)2((4phenyl5(ptolyl)4H124triazol3yl)thio)N(345trimethoxybenzylidene)acetohydrazide
2((5(4METHYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(345TRIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4METHYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(345TRIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
314287519
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC(=C(C(=C4)OC)OC)OC
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccccc2)c2ccc(cc2)C)cc(c1OC)OC
InChI=1SC27H27N5O4Sc118101220(131118)26303127(32(26)218657921)371724(33)292816191422(342)25(364)23(1519)353h516H17H214H3(H2933)b2816+
MFCD01589277
STK084730
ZINC000001240372
ZINC33329837
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