Vitas-M small molecule compound
cycloheptyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402920
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2)OC1CCCCCC1
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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 C24H28N2O5 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5/c1-15-21(24(28)31-18-10-4-2-3-5-11-18)22(16-8-6-9-17(14-16)26(29)30)23-19(25-15)12-7-13-20(23)27/h6,8-9,14,18,22,25H,2-5,7,10-13H2,1H3InChIKey
IFXDAKMWNVMJBU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC4CCCCCC4
cycloheptyl2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cycloheptyl2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC24H28N2O5c11521(24(28)31181042351118)22(1686917(1416)26(29)30)2319(2515)1271320(23)27h68914182225H2571013H21H3
MFCD03145101
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2)OC1CCCCCC1
ZINC000001438545
ZINC000001438546
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