Vitas-M small molecule compound
cyclohexyl 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
STK027695
SMILES CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC1CCCCC1)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 C32H36BrNO6 MW 610.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36BrNO6/c1-4-39-27-17-21(14-24(33)31(27)36)29-28(32(37)40-23-8-6-5-7-9-23)18(2)34-25-15-20(16-26(35)30(25)29)19-10-12-22(38-3)13-11-19/h10-14,17,20,23,29,34,36H,4-9,15-16H2,1-3H3InChIKey
ISIFQGNQYPHJJI-UHFFFAOYSA-NSynonyms
312596-11-5312596115
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC5CCCCC5)C)Br)O
CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC1CCCCC1)C
cyclohexyl4(3bromo5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3bromo5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC32H36BrNO6c1439271721(1424(33)31(27)36)2928(32(37)40238657923)18(2)34251520(1626(35)30(25)29)19101222(383)131119h1014172023293436H491516H213H3
MFCD01824318
STK027695
ZINC000100574825
ZINC000100574834
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