Vitas-M small molecule compound

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

Catalog ID
STK084675
SMILES COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/c1ccccc1C

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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 C25H23N5O2S MW 457.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O2S/c1-18-8-6-7-9-20(18)16-26-27-23(31)17-33-25-29-28-24(19-12-14-22(32-2)15-13-19)30(25)21-10-4-3-5-11-21/h3-16H,17H2,1-2H3,(H,27,31)/b26-16+
InChIKey
XQQMHSOFGDHBLB-WGOQTCKBSA-N
Synonyms
315230-16-1
(E)2((5(4methoxyphenyl)4phenyl4H124triazol3yl)thio)N(2methylbenzylidene)acetohydrazide
2((5(4METHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(2METHYLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4METHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(2METHYLPHENYL)METHYLIDENE)ACETOHYDRAZIDE
315230161
CC1=CC=CC=C1C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)NN=Cc1ccccc1C
InChI=1SC25H23N5O2Sc118867920(18)16262723(31)173325292824(19121422(322)151319)30(25)21104351121h316H17H212H3(H2731)b2616+
MFCD02077332
N((1E)2(2METHYLPHENYL)1AZAVINYL)2(5(4METHOXYPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK084675
ZINC000001474895
ZINC33341502

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.