Vitas-M small molecule compound

cyclohexyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK078012
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)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(22-17(25-13)8-5-9-19(22)27)14-10-11-16(24)18(12-14)26(29)30/h10-12,15,21,25H,2-9H2,1H3
InChIKey
TZIRPBWBLGPZKR-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)OC4CCCCC4
cyclohexyl4(4chloro3nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(4chloro3nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H25ClN2O5c11320(23(28)31156324715)21(2217(2513)85919(22)27)14101116(24)18(1214)26(29)30h1012152125H29H21H3
MFCD02633283
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)CCC2)OC1CCCCC1
STK078012
ZINC000001213262
ZINC000001213265

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Available files

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