Vitas-M small molecule compound

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

Catalog ID
STK028688
SMILES COc1cccc(c1OC)/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/c1-18-8-12-20(13-9-18)26-30-31-27(32(26)22-14-10-19(2)11-15-22)36-17-24(33)29-28-16-21-6-5-7-23(34-3)25(21)35-4/h5-16H,17H2,1-4H3,(H,29,33)/b28-16+
InChIKey
BVVIUCHVQBTGLX-LQKURTRISA-N
Synonyms
488131-92-6
(E)2((45diptolyl4H124triazol3yl)thio)N(23dimethoxybenzylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(23DIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(23DIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488131926
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=C(C(=CC=C4)OC)OC
COc1cccc(c1OC)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C
InChI=1SC27H27N5O3Sc11881220(13918)26303127(32(26)22141019(2)111522)361724(33)2928162165723(343)25(21)354h516H17H214H3(H2933)b2816+
MFCD03091532
N((1E)2(23DIMETHOXYPHENYL)1AZAVINYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK028688
ZINC000002331652
ZINC33361256

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Available files

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