Vitas-M small molecule compound
2-methylpropyl 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK037016
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(cc1)Cl)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 C28H28ClNO5 MW 493.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO5/c1-15(2)13-33-28(32)25-16(3)30-21-10-19(17-4-7-20(29)8-5-17)11-22(31)27(21)26(25)18-6-9-23-24(12-18)35-14-34-23/h4-9,12,15,19,26,30H,10-11,13-14H2,1-3H3InChIKey
SEHBNGRBHKPVRX-UHFFFAOYSA-NSynonyms
2methylpropyl4(13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC(COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(cc1)Cl)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4)OCO5)C(=O)OCC(C)C
InChI=1SC28H28ClNO5c115(2)133328(32)2516(3)30211019(174720(29)8517)1122(31)27(21)26(25)18692324(1218)35143423h491215192630H10111314H213H3
MFCD01446356
STK037016
ZINC000000848076
ZINC000000848079
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