Vitas-M small molecule compound
4-methylbenzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK098367
SMILES COc1cc(cc(c1O)Br)C1NC(=O)NC(=C1C(=O)OCc1ccc(cc1)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 C21H21BrN2O5 MW 461.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O5/c1-11-4-6-13(7-5-11)10-29-20(26)17-12(2)23-21(27)24-18(17)14-8-15(22)19(25)16(9-14)28-3/h4-9,18,25H,10H2,1-3H3,(H2,23,24,27)InChIKey
OIOGIYSTQBKAAG-UHFFFAOYSA-NSynonyms
(4METHYLPHENYL)METHYL4(3BROMO4HYDROXY5METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
(4METHYLPHENYL)METHYL6(3BROMO4HYDROXY5METHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
4methylbenzyl4(3bromo4hydroxy5methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=C(C(=C3)Br)O)OC)C
COc1cc(cc(c1O)Br)C1NC(=O)NC(=C1C(=O)OCc1ccc(cc1)C)C
InChI=1SC21H21BrN2O5c1114613(7511)102920(26)1712(2)2321(27)2418(17)14815(22)19(25)16(914)283h491825H10H213H3(H2232427)
MFCD01193471
STK098367
ZINC000001189336
ZINC000001189338
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