Vitas-M small molecule compound
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK399759
SMILES CCOc1ccc(cc1)n1c(S)nnc1c1nn(c(c1Cl)C)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 C15H16ClN5OS MW 349.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClN5OS/c1-4-22-11-7-5-10(6-8-11)21-14(17-18-15(21)23)13-12(16)9(2)20(3)19-13/h5-8H,4H2,1-3H3,(H,18,23)InChIKey
LCYLXCFNKDTOIB-UHFFFAOYSA-NSynonyms
512809-02-83(4CHLORO15DIMETHYLPYRAZOL3YL)4(4ETHOXYPHENYL)1H124TRIAZOLE5THIONE
5(4chloro15dimethyl1Hpyrazol3yl)4(4ethoxyphenyl)4H124triazole3thiol
512809028
CCOC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C(=C3Cl)C)C
InChI=1SC15H16ClN5OSc1422117510(6811)2114(171815(21)23)1312(16)9(2)20(3)1913h58H4H213H3(H1823)
MFCD03074285
ZINC000005686508
ZINC5686508
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