Vitas-M small molecule compound
2-phenoxyethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK002906
SMILES COc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCOc1ccccc1
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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 C32H30ClNO6 MW 560.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClNO6/c1-19-28(32(37)40-14-13-39-23-11-7-4-8-12-23)29(22-15-24(33)31(36)27(18-22)38-2)30-25(34-19)16-21(17-26(30)35)20-9-5-3-6-10-20/h3-12,15,18,21,29,34,36H,13-14,16-17H2,1-2H3InChIKey
TWVXWXWWTBLVCL-UHFFFAOYSA-NSynonyms
5721-27-72phenoxyethyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenoxyethyl4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
5721277
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C(=C4)Cl)O)OC)C(=O)OCCOC5=CC=CC=C5
COc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCOc1ccccc1
InChI=1SC32H30ClNO6c11928(32(37)4014133923117481223)29(221524(33)31(36)27(1822)382)3025(3419)1621(1726(30)35)2095361020h312151821293436H13141617H212H3
MFCD01814424
STK002906
ZINC000002757447
ZINC000002757450
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