Vitas-M small molecule compound
cyclopentyl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK373585
SMILES COc1cc([N+](=O)[O-])c(cc1OC)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCC1
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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 C24H28N2O7 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O7/c1-13-21(24(28)33-14-7-4-5-8-14)22(23-16(25-13)9-6-10-18(23)27)15-11-19(31-2)20(32-3)12-17(15)26(29)30/h11-12,14,22,25H,4-10H2,1-3H3InChIKey
SZFDMKRRTINRMJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)OC4CCCC4
COc1cc((N+)(=O)(O))c(cc1OC)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCC1
cyclopentyl4(45dimethoxy2nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(45dimethoxy2nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC24H28N2O7c11321(24(28)3314745814)22(2316(2513)961018(23)27)151119(312)20(323)1217(15)26(29)30h1112142225H410H213H3
MFCD00785454
ZINC000000663274
ZINC000000663278
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