Vitas-M small molecule compound
methyl 4-(2,5-dimethylphenyl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL435855
SMILES COC(=O)C1=C(CSc2ccc(cc2)F)NC(=O)NC1c1cc(C)ccc1C
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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 C21H21FN2O3S MW 400.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O3S/c1-12-4-5-13(2)16(10-12)19-18(20(25)27-3)17(23-21(26)24-19)11-28-15-8-6-14(22)7-9-15/h4-10,19H,11H2,1-3H3,(H2,23,24,26)InChIKey
AERGNOVIUJZUOU-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=CC=C(C=C3)F)C(=O)OC
InChI=1SC21H21FN2O3Sc1124513(2)16(1012)1918(20(25)273)17(2321(26)2419)1128158614(22)7915h41019H11H213H3(H2232426)
methyl4(25dimethylphenyl)6(((4fluorophenyl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl4(25dimethylphenyl)6((4fluorophenyl)sulfanylmethyl)2oxo34dihydro1Hpyrimidine5carboxylate
METHYL6(25DIMETHYLPHENYL)4((4FLUOROPHENYLTHIO)METHYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
MFCD07048846
ZINC000008306812
ZINC000008306813
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