Vitas-M small molecule compound
(2E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carbamothioyl]prop-2-enamide
Catalog ID
STL378583
SMILES O=C(NC(=S)Nc1c(C)nn(c1C)c1ccccc1)/C=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 C21H19ClN4OS MW 410.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4OS/c1-14-20(15(2)26(25-14)18-6-4-3-5-7-18)24-21(28)23-19(27)13-10-16-8-11-17(22)12-9-16/h3-13H,1-2H3,(H2,23,24,27,28)/b13-10+InChIKey
IYMSPQOEJAFJMR-JLHYYAGUSA-NSynonyms
(2E)3(4chlorophenyl)N((35dimethyl1phenyl1Hpyrazol4yl)carbamothioyl)prop2enamide
(E)3(4CHLOROPHENYL)N((35DIMETHYL1PHENYLPYRAZOL4YL)CARBAMOTHIOYL)PROP2ENAMIDE
CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl
InChI=1SC21H19ClN4OSc11420(15(2)26(2514)186435718)2421(28)2319(27)13101681117(22)12916h313H12H3(H223242728)b1310+
MFCD03719795
O=C(NC(=S)Nc1c(C)nn(c1C)c1ccccc1)C=Cc1ccc(cc1)Cl
ZINC000001414069
ZINC01414069
ZINC1414069
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