Vitas-M small molecule compound
ethyl 6-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL386950
SMILES CCOC(=O)C1=C(CSc2nc(cc(c2C#N)C)C(F)(F)F)NC(=O)NC1c1cnn(c1)CC
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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 C21H21F3N6O3S MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N6O3S/c1-4-30-9-12(8-26-30)17-16(19(31)33-5-2)14(27-20(32)29-17)10-34-18-13(7-25)11(3)6-15(28-18)21(22,23)24/h6,8-9,17H,4-5,10H2,1-3H3,(H2,27,29,32)InChIKey
PZLBVDLZWGFOCQ-UHFFFAOYSA-NSynonyms
1006329-35-61006329356
CCN1C=C(C=N1)C2C(=C(NC(=O)N2)CSC3=C(C(=CC(=N3)C(F)(F)F)C)C#N)C(=O)OCC
ethyl6(((3cyano4methyl6(trifluoromethyl)pyridin2yl)sulfanyl)methyl)4(1ethyl1Hpyrazol4yl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((3cyano4methyl6(trifluoromethyl)pyridin2yl)sulfanylmethyl)4(1ethylpyrazol4yl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H21F3N6O3Sc1430912(82630)1716(19(31)3352)14(2720(32)2917)10341813(725)11(3)615(2818)21(2223)24h68917H4510H213H3(H2272932)
MFCD08554854
ZINC000020607450
ZINC000020607451
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