Vitas-M small molecule compound
cyclohexyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372425
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)OC1CCCCC1
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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 C23H26N2O5 MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5/c1-14-20(23(27)30-17-6-3-2-4-7-17)21(15-10-12-16(13-11-15)25(28)29)22-18(24-14)8-5-9-19(22)26/h10-13,17,21,24H,2-9H2,1H3InChIKey
SMKJLPJLEKBJEK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC4CCCCC4
cyclohexyl2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cyclohexyl2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H26N2O5c11420(23(27)30176324717)21(15101216(131115)25(28)29)2218(2414)85919(22)26h1013172124H29H21H3
MFCD00771192
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)OC1CCCCC1
ZINC000019798082
ZINC000019798085
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