Vitas-M small molecule compound
cyclohexyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK019625
SMILES O=C(C1=C(C)NC2=C(C1c1cc(ccc1Cl)[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 C23H25ClN2O5 MW 444.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN2O5/c1-13-20(23(28)31-15-6-3-2-4-7-15)21(22-18(25-13)8-5-9-19(22)27)16-12-14(26(29)30)10-11-17(16)24/h10-12,15,21,25H,2-9H2,1H3InChIKey
IPOXFBRCQVZDRD-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)OC4CCCCC4
cyclohexyl4(2chloro5nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(2chloro5nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H25ClN2O5c11320(23(28)31156324715)21(2218(2513)85919(22)27)161214(26(29)30)101117(16)24h1012152125H29H21H3
MFCD02633232
O=C(C1=C(C)NC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CCC2)OC1CCCCC1
STK019625
ZINC000001213129
ZINC000001213132
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