Vitas-M small molecule compound
2-phenoxyethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK063052
SMILES COc1cc(ccc1O)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 C32H31NO6 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31NO6/c1-20-29(32(36)39-16-15-38-24-11-7-4-8-12-24)30(22-13-14-26(34)28(19-22)37-2)31-25(33-20)17-23(18-27(31)35)21-9-5-3-6-10-21/h3-14,19,23,30,33-34H,15-18H2,1-2H3InChIKey
XBFRAEIYRPJVJA-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(4hydroxy3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4hydroxy3methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)C(=O)OCCOC5=CC=CC=C5
COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCOc1ccccc1
InChI=1SC32H31NO6c12029(32(36)3916153824117481224)30(22131426(34)28(1922)372)3125(3320)1723(1827(31)35)2195361021h3141923303334H1518H212H3
MFCD01528061
STK063052
ZINC000002757358
ZINC000002757361
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