Vitas-M small molecule compound
2-phenoxyethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK402351
SMILES O=C1NC(=C(C(N1)c1ccc(c(c1)[N+](=O)[O-])O)C(=O)OCCOc1ccccc1)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 C20H19N3O7 MW 413.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O7/c1-12-17(19(25)30-10-9-29-14-5-3-2-4-6-14)18(22-20(26)21-12)13-7-8-16(24)15(11-13)23(27)28/h2-8,11,18,24H,9-10H2,1H3,(H2,21,22,26)InChIKey
FSZMQNDQHGDUOZ-UHFFFAOYSA-NSynonyms
304450-27-92phenoxyethyl4(4hydroxy3nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2PHENOXYETHYL4(4HYDROXY3NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2PHENOXYETHYL6(4HYDROXY3NITROPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
304450279
CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)(N+)(=O)(O))C(=O)OCCOC3=CC=CC=C3
InChI=1SC20H19N3O7c11217(19(25)3010929145324614)18(2220(26)2112)137816(24)15(1113)23(27)28h28111824H910H21H3(H2212226)
MFCD01192531
O=C1NC(=C(C(N1)c1ccc(c(c1)(N+)(=O)(O))O)C(=O)OCCOc1ccccc1)C
ZINC000035973744
ZINC000035973745
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