Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK776201
SMILES CCOC(=O)C1=C(CSc2cc(Cl)ccc2Cl)NC(=O)NC1c1ccc2c(c1)OCO2
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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 C21H18Cl2N2O5S MW 481.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N2O5S/c1-2-28-20(26)18-14(9-31-17-8-12(22)4-5-13(17)23)24-21(27)25-19(18)11-3-6-15-16(7-11)30-10-29-15/h3-8,19H,2,9-10H2,1H3,(H2,24,25,27)InChIKey
JFDMVUOWSRDYLR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=C(C=CC(=C4)Cl)Cl
ethyl4(13benzodioxol5yl)6(((25dichlorophenyl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(13BENZODIOXOL5YL)6((25DICHLOROPHENYL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(2HBENZO(34D)13DIOXOLAN5YL)4((25DICHLOROPHENYLTHIO)METHYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC21H18Cl2N2O5Sc122820(26)1814(93117812(22)4513(17)23)2421(27)2519(18)11361516(711)30102915h3819H2910H21H3(H2242527)
MFCD05258681
ZINC000001423128
ZINC000001423129
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