Vitas-M small molecule compound
3-methylbutyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK371660
SMILES CC(CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)[N+](=O)[O-])O)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 C17H21N3O6 MW 363.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O6/c1-9(2)6-7-26-16(22)14-10(3)18-17(23)19-15(14)11-4-5-13(21)12(8-11)20(24)25/h4-5,8-9,15,21H,6-7H2,1-3H3,(H2,18,19,23)InChIKey
PBLQGVWBSXMKLU-UHFFFAOYSA-NSynonyms
299404-61-8299404618
3methylbutyl4(4hydroxy3nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
3METHYLBUTYL4(4HYDROXY3NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CC(CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)(N+)(=O)(O))O)C
CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)(N+)(=O)(O))C(=O)OCCC(C)C
InChI=1SC17H21N3O6c19(2)672616(22)1410(3)1817(23)1915(14)114513(21)12(811)20(24)25h45891521H67H213H3(H2181923)
MFCD00367002
ZINC000035623316
ZINC000035623317
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