Vitas-M small molecule compound
4-{[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK326205
SMILES Cc1ccc(cc1)c1nnc(n1/N=C/c1c(C)nn(c1Cl)c1ccccc1)S
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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 C20H17ClN6S MW 408.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN6S/c1-13-8-10-15(11-9-13)19-23-24-20(28)27(19)22-12-17-14(2)25-26(18(17)21)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,24,28)/b22-12+InChIKey
PDXCJSZQCUYJFF-WSDLNYQXSA-NSynonyms
4(((E)(5CHLORO3METHYL1PHENYL1HPYRAZOL4YL)METHYLIDENE)AMINO)5(4METHYLPHENYL)4H124TRIAZOLE3THIOL
4((E)(5chloro3methyl1phenylpyrazol4yl)methylideneamino)3(4methylphenyl)1H124triazole5thione
CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl
Cc1ccc(cc1)c1nnc(n1N=Cc1c(C)nn(c1Cl)c1ccccc1)S
InChI=1SC20H17ClN6Sc11381015(11913)19232420(28)27(19)22121714(2)2526(18(17)21)166435716h312H12H3(H2428)b2212+
MFCD01018340
ZINC000005417052
ZINC35418457
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