Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK775846
SMILES CCOC(=O)C1=C(CSc2ccc(cc2)F)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 C21H19FN2O5S MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN2O5S/c1-2-27-20(25)18-15(10-30-14-6-4-13(22)5-7-14)23-21(26)24-19(18)12-3-8-16-17(9-12)29-11-28-16/h3-9,19H,2,10-11H2,1H3,(H2,23,24,26)InChIKey
CERHCYKACCXTPT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=CC=C(C=C4)F
ethyl4(13benzodioxol5yl)6(((4fluorophenyl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(13BENZODIOXOL5YL)6((4FLUOROPHENYL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(2HBENZO(34D)13DIOXOLAN5YL)4((4FLUOROPHENYLTHIO)METHYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC21H19FN2O5Sc122720(25)1815(1030146413(22)5714)2321(26)2419(18)12381617(912)29112816h3919H21011H21H3(H2232426)
MFCD05257905
ZINC000001422488
ZINC000001422489
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