Vitas-M small molecule compound
propan-2-yl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK378731
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC(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 C29H30ClNO6 MW 524.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClNO6/c1-15(2)36-29(34)26-16(3)31-22-12-20(18-6-9-21(30)10-7-18)13-23(33)28(22)27(26)19-8-11-24(37-17(4)32)25(14-19)35-5/h6-11,14-15,20,27,31H,12-13H2,1-5H3InChIKey
TVIMWXDXVPZHKE-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(C)C
InChI=1SC29H30ClNO6c115(2)3629(34)2616(3)31221220(186921(30)10718)1323(33)28(22)27(26)1981124(3717(4)32)25(1419)355h6111415202731H1213H215H3
MFCD01824436
propan2yl4(4(acetyloxy)3methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4acetyloxy3methoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000019770180
ZINC000019770183
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