Vitas-M small molecule compound
propan-2-yl 7-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK046228
SMILES COc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(C)C)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 C27H28ClNO5 MW 481.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO5/c1-14(2)34-27(32)24-15(3)29-20-11-18(16-5-8-19(28)9-6-16)12-22(31)26(20)25(24)17-7-10-21(30)23(13-17)33-4/h5-10,13-14,18,25,29-30H,11-12H2,1-4H3InChIKey
MGIWMBVAJDGKFO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)O)OC)C(=O)OC(C)C
COc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(C)C)C
InChI=1SC27H28ClNO5c114(2)3427(32)2415(3)29201118(165819(28)9616)1222(31)26(20)25(24)1771021(30)23(1317)334h510131418252930H1112H214H3
MFCD01590144
propan2yl7(4chlorophenyl)4(4hydroxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl7(4chlorophenyl)4(4hydroxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK046228
ZINC000019770157
ZINC000019770160
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