Vitas-M small molecule compound

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

Catalog ID
STK085819
SMILES COc1cccc(c1)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

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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 C25H22ClN5O2S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O2S/c1-17-6-12-21(13-7-17)31-24(19-8-10-20(26)11-9-19)29-30-25(31)34-16-23(32)28-27-15-18-4-3-5-22(14-18)33-2/h3-15H,16H2,1-2H3,(H,28,32)/b27-15+
InChIKey
HPHDZDFASJCBGK-JFLMPSFJSA-N
Synonyms
303105-36-4
(E)2((5(4chlorophenyl)4(ptolyl)4H124triazol3yl)thio)N(3methoxybenzylidene)acetohydrazide
2((5(4CHLOROPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(3METHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4CHLOROPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(3METHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
303105364
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=CC=C3)OC)C4=CC=C(C=C4)Cl
COc1cccc(c1)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl
InChI=1SC25H22ClN5O2Sc11761221(13717)3124(1981020(26)11919)293025(31)341623(32)2827151843522(1418)332h315H16H212H3(H2832)b2715+
MFCD02077515
STK085819
ZINC000002276413
ZINC33352113

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Available files

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