Vitas-M small molecule compound

2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-methoxyphenyl)ethylidene]acetohydrazide

Catalog ID
STK058261
SMILES COc1ccc(cc1)/C(=N\NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)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 C27H27N5O2S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S/c1-18-5-9-22(10-6-18)26-30-31-27(32(26)23-13-7-19(2)8-14-23)35-17-25(33)29-28-20(3)21-11-15-24(34-4)16-12-21/h5-16H,17H2,1-4H3,(H,29,33)/b28-20-
InChIKey
MHQPPEVRHUBMGN-RRAHZORUSA-N
Synonyms

(E)2((45diptolyl4H124triazol3yl)thio)N(1(4methoxyphenyl)ethylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)1(4METHOXYPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1Z)1(4METHOXYPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=C(C)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)C
InChI=1SC27H27N5O2Sc1185922(10618)26303127(32(26)2313719(2)81423)351725(33)292820(3)21111524(344)161221h516H17H214H3(H2933)b2820
MFCD03220908
N((1Z)2(4METHOXYPHENYL)1AZAPROP1ENYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK058261
ZINC000013896261
ZINC09086529
ZINC9086529

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Available files

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