Vitas-M small molecule compound
2-phenylethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK371665
SMILES O=C1NC(=C(C(N1)c1ccc(c(c1)[N+](=O)[O-])O)C(=O)OCCc1ccccc1)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/c1-12-17(19(25)29-10-9-13-5-3-2-4-6-13)18(22-20(26)21-12)14-7-8-16(24)15(11-14)23(27)28/h2-8,11,18,24H,9-10H2,1H3,(H2,21,22,26)InChIKey
MHXSVBBJERLNGI-UHFFFAOYSA-NSynonyms
2phenylethyl4(4hydroxy3nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2phenylethyl4(4hydroxy3nitrophenyl)6methyl2oxo34dihydro1Hpyrimidine5carboxylate
2PHENYLETHYL6(4HYDROXY3NITROPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)(N+)(=O)(O))C(=O)OCCC3=CC=CC=C3
InChI=1SC20H19N3O6c11217(19(25)29109135324613)18(2220(26)2112)147816(24)15(1114)23(27)28h28111824H910H21H3(H2212226)
MFCD00337143
O=C1NC(=C(C(N1)c1ccc(c(c1)(N+)(=O)(O))O)C(=O)OCCc1ccccc1)C
PHENETHYL4(4HYDROXY3NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ZINC000036128362
ZINC000036128364
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