Vitas-M small molecule compound
4-methylbenzyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK009129
SMILES O=C1NC(=C(C(N1)c1ccc(c(c1)[N+](=O)[O-])O)C(=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 C20H19N3O6 MW 397.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6/c1-11-3-5-13(6-4-11)10-29-19(25)17-12(2)21-20(26)22-18(17)14-7-8-16(24)15(9-14)23(27)28/h3-9,18,24H,10H2,1-2H3,(H2,21,22,26)InChIKey
CAXBMMDDYJGQBV-UHFFFAOYSA-NSynonyms
(4METHYLPHENYL)METHYL4(4HYDROXY3NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
(4METHYLPHENYL)METHYL6(4HYDROXY3NITROPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
4methylbenzyl4(4hydroxy3nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)(N+)(=O)(O))C
InChI=1SC20H19N3O6c1113513(6411)102919(25)1712(2)2120(26)2218(17)147816(24)15(914)23(27)28h391824H10H212H3(H2212226)
MFCD01192299
O=C1NC(=C(C(N1)c1ccc(c(c1)(N+)(=O)(O))O)C(=O)OCc1ccc(cc1)C)C
STK009129
ZINC000035832837
ZINC000035832839
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