Vitas-M small molecule compound
2-phenylethyl 4-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK068677
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)N(CC)CC)C(=O)OCCc1ccccc1)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 C36H40N2O4 MW 564.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40N2O4/c1-5-38(6-2)29-16-12-27(13-17-29)34-33(36(40)42-21-20-25-10-8-7-9-11-25)24(3)37-31-22-28(23-32(39)35(31)34)26-14-18-30(41-4)19-15-26/h7-19,28,34,37H,5-6,20-23H2,1-4H3InChIKey
OSSKRQSOTDTIOW-UHFFFAOYSA-NSynonyms
2phenylethyl4(4(diethylamino)phenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(4(diethylamino)phenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCCC5=CC=CC=C5)C
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)N(CC)CC)C(=O)OCCc1ccccc1)C
InChI=1SC36H40N2O4c1538(62)29161227(131729)3433(36(40)42212025108791125)24(3)37312228(2332(39)35(31)34)26141830(414)191526h719283437H562023H214H3
MFCD01823622
STK068677
ZINC000059706400
ZINC000059706406
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