Vitas-M small molecule compound
cyclopentyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK090473
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCC1)C
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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 C28H27ClN2O5 MW 506.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O5/c1-16-25(28(33)36-22-7-2-3-8-22)26(18-5-4-6-21(13-18)31(34)35)27-23(30-16)14-19(15-24(27)32)17-9-11-20(29)12-10-17/h4-6,9-13,19,22,26,30H,2-3,7-8,14-15H2,1H3InChIKey
VXZHRPODTXQPFU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC5CCCC5
Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OC1CCCC1)C
cyclopentyl7(4chlorophenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(4chlorophenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H27ClN2O5c11625(28(33)3622723822)26(1854621(1318)31(34)35)2723(3016)1419(1524(27)32)1791120(29)121017h4691319222630H23781415H21H3
MFCD01656000
STK090473
ZINC000002758000
ZINC000002758003
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