Vitas-M small molecule compound
1,3-benzodioxol-5-ylmethyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK374349
SMILES COc1ccc(cc1)C1NC(=O)NC(=C1C(=O)OCc1ccc2c(c1)OCO2)C
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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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-12-18(19(23-21(25)22-12)14-4-6-15(26-2)7-5-14)20(24)27-10-13-3-8-16-17(9-13)29-11-28-16/h3-9,19H,10-11H2,1-2H3,(H2,22,23,25)InChIKey
CPLVEVCCUOIRRT-UHFFFAOYSA-NSynonyms
13benzodioxol5ylmethyl4(4methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
13BENZODIOXOL5YLMETHYL4(4METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2HBENZO(34D)13DIOXOLAN5YLMETHYL6(4METHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OCC3=CC4=C(C=C3)OCO4
InChI=1SC21H20N2O6c11218(19(2321(25)2212)144615(262)7514)20(24)271013381617(913)29112816h3919H1011H212H3(H2222325)
MFCD01192716
ZINC000000844466
ZINC000000844467
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