Vitas-M small molecule compound
2-methylpropyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK378277
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCC(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 C30H32ClNO6 MW 538.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClNO6/c1-16(2)15-37-30(35)27-17(3)32-23-12-21(19-6-9-22(31)10-7-19)13-24(34)29(23)28(27)20-8-11-25(38-18(4)33)26(14-20)36-5/h6-11,14,16,21,28,32H,12-13,15H2,1-5H3InChIKey
ZBWHRGVLIAAWEL-UHFFFAOYSA-NSynonyms
2methylpropyl4(4(acetyloxy)3methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(4acetyloxy3methoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
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)OCC(C)C
InChI=1SC30H32ClNO6c116(2)153730(35)2717(3)32231221(196922(31)10719)1324(34)29(23)28(27)2081125(3818(4)33)26(1420)365h6111416212832H121315H215H3
MFCD01823663
ZINC000059706221
ZINC000059706227
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