Vitas-M small molecule compound
2-methylpropyl 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK045573
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OCC(C)C)c1ccc(c(c1)OC)O
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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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-16(2)15-36-29(33)26-17(3)30-22-12-20(18-6-9-21(34-4)10-7-18)13-24(32)28(22)27(26)19-8-11-23(31)25(14-19)35-5/h6-11,14,16,20,27,30-31H,12-13,15H2,1-5H3InChIKey
QJJZKCMPAMFEBF-UHFFFAOYSA-NSynonyms
2methylpropyl4(4hydroxy3methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(4hydroxy3methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)O)OC)C(=O)OCC(C)C
COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OCC(C)C)c1ccc(c(c1)OC)O
InChI=1SC29H33NO6c116(2)153629(33)2617(3)30221220(186921(344)10718)1324(32)28(22)27(26)1981123(31)25(1419)355h611141620273031H121315H215H3
MFCD01824439
STK045573
ZINC000019770196
ZINC000019770199
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