Vitas-M small molecule compound

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

Catalog ID
STK085932
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)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 C25H22ClN5OS MW 476.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5OS/c1-17-8-14-22(15-9-17)31-24(20-10-12-21(26)13-11-20)29-30-25(31)33-16-23(32)28-27-18(2)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,28,32)/b27-18+
InChIKey
QZYUWHFWXFHEKM-OVVQPSECSA-N
Synonyms
315231-65-3
(E)2((5(4chlorophenyl)4(ptolyl)4H124triazol3yl)thio)N(1phenylethylidene)acetohydrazide
2((5(4CHLOROPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)1PHENYLETHYLIDENEAMINO)ACETAMIDE
2((5(4CHLOROPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1E)1PHENYLETHYLIDENE)ACETOHYDRAZIDE
315231653
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=C(C)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI=1SC25H22ClN5OSc11781422(15917)3124(20101221(26)131120)293025(31)331623(32)282718(2)196435719h315H16H212H3(H2832)b2718+
MFCD02675680
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)NN=C(c1ccccc1)C
STK085932
ZINC000009199242
ZINC96544399

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Available files

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