Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-6-{[(4-methoxyphenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK776200
SMILES CCOC(=O)C1=C(CSc2ccc(cc2)OC)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 C22H22N2O6S MW 442.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6S/c1-3-28-21(25)19-16(11-31-15-7-5-14(27-2)6-8-15)23-22(26)24-20(19)13-4-9-17-18(10-13)30-12-29-17/h4-10,20H,3,11-12H2,1-2H3,(H2,23,24,26)InChIKey
BTITVVXDZKHGFD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=CC=C(C=C4)OC
ethyl4(13benzodioxol5yl)6(((4methoxyphenyl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(13BENZODIOXOL5YL)6((4METHOXYPHENYL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(2HBENZO(34D)13DIOXOLAN5YL)4((4METHOXYPHENYLTHIO)METHYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC22H22N2O6Sc132821(25)1916(1131157514(272)6815)2322(26)2420(19)13491718(1013)30122917h41020H31112H212H3(H2232426)
MFCD05258680
ZINC000001423126
ZINC000001423127
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