Vitas-M small molecule compound
propan-2-yl 4-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK094648
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(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 C28H31NO6 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO6/c1-15(2)35-28(32)25-16(3)29-21-12-19(17-6-9-20(33-4)10-7-17)13-23(31)27(21)26(25)18-8-11-22(30)24(14-18)34-5/h6-11,14-15,19,26,29-30H,12-13H2,1-5H3InChIKey
QANKMRIGTNHLCT-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)O)OC)C(=O)OC(C)C
COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1ccc(c(c1)OC)O
InChI=1SC28H31NO6c115(2)3528(32)2516(3)29211219(176920(334)10717)1323(31)27(21)26(25)1881122(30)24(1418)345h611141519262930H1213H215H3
MFCD01445692
propan2yl4(4hydroxy3methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4hydroxy3methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK094648
ZINC000019762129
ZINC000019762137
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