Vitas-M small molecule compound
3,3-dimethylbutan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK701184
SMILES COc1cc(cc(c1O)Cl)C1NC(=O)NC(=C1C(=O)OC(C(C)(C)C)C)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 C19H25ClN2O5 MW 396.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25ClN2O5/c1-9-14(17(24)27-10(2)19(3,4)5)15(22-18(25)21-9)11-7-12(20)16(23)13(8-11)26-6/h7-8,10,15,23H,1-6H3,(H2,21,22,25)InChIKey
NQCWSTXSEFWPAN-UHFFFAOYSA-NSynonyms
33dimethylbutan2yl4(3chloro4hydroxy5methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
33DIMETHYLBUTAN2YL4(3CHLORO4HYDROXY5METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OC(C)C(C)(C)C
InChI=1SC19H25ClN2O5c1914(17(24)2710(2)19(34)5)15(2218(25)219)11712(20)16(23)13(811)266h78101523H16H3(H2212225)
MFCD01193137
ZINC000000716216
ZINC000000716220
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