Vitas-M small molecule compound
1,3-benzodioxol-5-ylmethyl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK096693
SMILES CCc1ccc(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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-3-14-4-7-16(8-5-14)20-19(13(2)23-22(26)24-20)21(25)27-11-15-6-9-17-18(10-15)29-12-28-17/h4-10,20H,3,11-12H2,1-2H3,(H2,23,24,26)InChIKey
GILXKGFPSUZEON-UHFFFAOYSA-NSynonyms
13benzodioxol5ylmethyl4(4ethylphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
13BENZODIOXOL5YLMETHYL4(4ETHYLPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2HBENZO(D)13DIOXOLAN5YLMETHYL6(4ETHYLPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CCC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC4=C(C=C3)OCO4
CCc1ccc(cc1)C1NC(=O)NC(=C1C(=O)OCc1ccc2c(c1)OCO2)C
InChI=1SC22H22N2O5c13144716(8514)2019(13(2)2322(26)2420)21(25)271115691718(1015)29122817h41020H31112H212H3(H2232426)
MFCD01192758
STK096693
ZINC000001453837
ZINC000001453838
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