Vitas-M small molecule compound
cyclopentyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK053733
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CCC2)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 C22H24N2O6 MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O6/c1-12-19(22(27)30-14-5-2-3-6-14)20(21-15(23-12)7-4-8-18(21)26)13-9-10-17(25)16(11-13)24(28)29/h9-11,14,20,23,25H,2-8H2,1H3InChIKey
SPBCRMDLNNKOAQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)O)(N+)(=O)(O))C(=O)OC4CCCC4
cyclopentyl4(4hydroxy3nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4hydroxy3nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC22H24N2O6c11219(22(27)3014523614)20(2115(2312)74818(21)26)1391017(25)16(1113)24(28)29h91114202325H28H21H3
MFCD00771164
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CCC2)OC1CCCC1
STK053733
ZINC000096287850
ZINC000096287851
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