Vitas-M small molecule compound
methyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK091993
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C27H26ClNO6 MW 495.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClNO6/c1-14-24(27(32)34-4)25(17-7-10-22(35-15(2)30)23(13-17)33-3)26-20(29-14)11-18(12-21(26)31)16-5-8-19(28)9-6-16/h5-10,13,18,25,29H,11-12H2,1-4H3InChIKey
QMZXBQKBQGYDLY-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC27H26ClNO6c11424(27(32)344)25(1771022(3515(2)30)23(1317)333)2620(2914)1118(1221(26)31)165819(28)9616h51013182529H1112H214H3
methyl4(4(acetyloxy)3methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4acetyloxy3methoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01824402
STK091993
ZINC000000861420
ZINC000000861423
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