Vitas-M small molecule compound

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

Catalog ID
STK047494
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)N/N=C(\c1ccccc1)/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 C26H25N5OS MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5OS/c1-18-9-13-22(14-10-18)25-29-30-26(31(25)23-15-11-19(2)12-16-23)33-17-24(32)28-27-20(3)21-7-5-4-6-8-21/h4-16H,17H2,1-3H3,(H,28,32)/b27-20-
InChIKey
KTIJKURYBUFFJF-OOAXWGSJSA-N
Synonyms

(E)2((45diptolyl4H124triazol3yl)thio)N(1phenylethylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)1PHENYLETHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1Z)1PHENYLETHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=C(C)C4=CC=CC=C4
InChI=1SC26H25N5OSc11891322(141018)25293026(31(25)23151119(2)121623)331724(32)282720(3)217546821h416H17H213H3(H2832)b2720
MFCD02729560
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)NN=C(c1ccccc1)C
STK047494
ZINC000013943223
ZINC09007919
ZINC9007919

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Available files

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