Vitas-M small molecule compound
4-chloro-N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-1-methyl-1H-pyrazole-5-carboxamide
Catalog ID
STK301450
SMILES S=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)NC(=O)c1c(Cl)cnn1C
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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 C17H17ClN6O2S MW 404.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN6O2S/c1-10-13(16(26)24(23(10)3)11-7-5-4-6-8-11)20-17(27)21-15(25)14-12(18)9-19-22(14)2/h4-9H,1-3H3,(H2,20,21,25,27)InChIKey
NUYYYNZHNNUGGU-UHFFFAOYSA-NSynonyms
512807-47-54chloroN((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)carbamothioyl)1methyl1Hpyrazole5carboxamide
4CHLORON((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)CARBAMOTHIOYL)2METHYLPYRAZOLE3CARBOXAMIDE
512807475
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=C(C=NN3C)Cl
InChI=1SC17H17ClN6O2Sc11013(16(26)24(23(10)3)117546811)2017(27)2115(25)1412(18)91922(14)2h49H13H3(H220212527)
MFCD03465280
ZINC000002795132
ZINC02795132
ZINC2795132
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