Vitas-M small molecule compound
ethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363377
SMILES CCCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OCC)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 C28H30ClNO4 MW 480.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO4/c1-4-14-34-24-9-7-6-8-21(24)26-25(28(32)33-5-2)17(3)30-22-15-19(16-23(31)27(22)26)18-10-12-20(29)13-11-18/h6-13,19,26,30H,4-5,14-16H2,1-3H3InChIKey
RAIKCPKTDDQLPO-UHFFFAOYSA-NSynonyms
CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC)C
ethyl7(4chlorophenyl)2methyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
ethyl7(4chlorophenyl)2methyl5oxo4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H30ClNO4c14143424976821(24)2625(28(32)3352)17(3)30221519(1623(31)27(22)26)18101220(29)131118h613192630H451416H213H3
MFCD01191860
ZINC000004067126
ZINC000004067129
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