Vitas-M small molecule compound
methyl 4-(3,4-dimethoxyphenyl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL435761
SMILES COC(=O)C1=C(CSc2ccc(cc2)F)NC(=O)NC1c1ccc(c(c1)OC)OC
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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 C21H21FN2O5S MW 432.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O5S/c1-27-16-9-4-12(10-17(16)28-2)19-18(20(25)29-3)15(23-21(26)24-19)11-30-14-7-5-13(22)6-8-14/h4-10,19H,11H2,1-3H3,(H2,23,24,26)InChIKey
BALWOXZUZUJYQR-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)CSC3=CC=C(C=C3)F)C(=O)OC)OC
InChI=1SC21H21FN2O5Sc127169412(1017(16)282)1918(20(25)293)15(2321(26)2419)1130147513(22)6814h41019H11H213H3(H2232426)
methyl4(34dimethoxyphenyl)6(((4fluorophenyl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
METHYL4(34DIMETHOXYPHENYL)6((4FLUOROPHENYL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD07155229
ZINC000013566240
ZINC000013566241
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