Vitas-M small molecule compound
2-methylpropyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK053219
SMILES CCOc1cc(ccc1O)C1C2=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 C29H32ClNO5 MW 510.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO5/c1-5-35-25-14-19(8-11-23(25)32)27-26(29(34)36-15-16(2)3)17(4)31-22-12-20(13-24(33)28(22)27)18-6-9-21(30)10-7-18/h6-11,14,16,20,27,31-32H,5,12-13,15H2,1-4H3InChIKey
FIQHTMZZRQPVHW-UHFFFAOYSA-NSynonyms
2methylpropyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC(C)C)C)O
CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OCC(C)C)C
InChI=1SC29H32ClNO5c1535251419(81123(25)32)2726(29(34)361516(2)3)17(4)31221220(1324(33)28(22)27)186921(30)10718h611141620273132H5121315H214H3
MFCD01446342
STK053219
ZINC000000848058
ZINC000000848061
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