Vitas-M small molecule compound
2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK071987
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1[N+](=O)[O-])C(=O)OCCOc1ccccc1)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 C32H27ClN2O8 MW 603.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27ClN2O8/c1-18-29(32(37)41-12-11-40-22-5-3-2-4-6-22)30(23-15-27-28(43-17-42-27)16-25(23)35(38)39)31-24(34-18)13-20(14-26(31)36)19-7-9-21(33)10-8-19/h2-10,15-16,20,30,34H,11-14,17H2,1H3InChIKey
HMSLXYWQUMROCC-UHFFFAOYSA-NSynonyms
2phenoxyethyl7(4chlorophenyl)2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl7(4chlorophenyl)2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)OCCOC6=CC=CC=C6
Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1(N+)(=O)(O))C(=O)OCCOc1ccccc1)C
InChI=1SC32H27ClN2O8c11829(32(37)41121140225324622)30(23152728(43174227)1625(23)35(38)39)3124(3418)1320(1426(31)36)197921(33)10819h2101516203034H111417H21H3
MFCD01823934
STK071987
ZINC000100573291
ZINC000100573297
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