Vitas-M small molecule compound
butan-2-yl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK073747
SMILES CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(CC)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/c1-5-16(3)36-29(34)26-17(4)31-22-13-20(18-7-10-21(30)11-8-18)14-24(33)28(22)27(26)19-9-12-23(32)25(15-19)35-6-2/h7-12,15-16,20,27,31-32H,5-6,13-14H2,1-4H3InChIKey
KYNXMUCTYHCXFX-UHFFFAOYSA-NSynonyms
butan2yl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OCC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(CC)C)C
InChI=1SC29H32ClNO5c1516(3)3629(34)2617(4)31221320(1871021(30)11818)1424(33)28(22)27(26)1991223(32)25(1519)3562h712151620273132H561314H214H3
MFCD01446368
STK073747
ZINC000001082031
ZINC000035973782
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