Vitas-M small molecule compound
2-methylpropyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK022434
SMILES CCCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OCC(C)C)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 C30H34ClNO4 MW 508.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO4/c1-5-14-35-26-9-7-6-8-23(26)28-27(30(34)36-17-18(2)3)19(4)32-24-15-21(16-25(33)29(24)28)20-10-12-22(31)13-11-20/h6-13,18,21,28,32H,5,14-17H2,1-4H3InChIKey
BEVGCUSZNHEMSK-UHFFFAOYSA-NSynonyms
2methylpropyl7(4chlorophenyl)2methyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
2methylpropyl7(4chlorophenyl)2methyl5oxo4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC(C)C)C
CCCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OCC(C)C)C
InChI=1SC30H34ClNO4c15143526976823(26)2827(30(34)361718(2)3)19(4)32241521(1625(33)29(24)28)20101222(31)131120h61318212832H51417H214H3
MFCD01445691
STK022434
ZINC000004067751
ZINC000004067754
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