Vitas-M small molecule compound
cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK378732
SMILES CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC1CCCC1)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 C31H34BrNO6 MW 596.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34BrNO6/c1-4-38-26-16-20(13-23(32)30(26)35)28-27(31(36)39-22-7-5-6-8-22)17(2)33-24-14-19(15-25(34)29(24)28)18-9-11-21(37-3)12-10-18/h9-13,16,19,22,28,33,35H,4-8,14-15H2,1-3H3InChIKey
WIYVQIUCFPXCLE-UHFFFAOYSA-NSynonyms
5716-40-55716405
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC5CCCC5)C)Br)O
cyclopentyl4(3bromo5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3bromo5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H34BrNO6c1438261620(1323(32)30(26)35)2827(31(36)3922756822)17(2)33241419(1525(34)29(24)28)1891121(373)121018h913161922283335H481415H213H3
MFCD01824445
ZINC000004112762
ZINC000004112765
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