Vitas-M small molecule compound
butan-2-yl 7-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK055956
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1OC)OC)C(=O)CC(C2)c1ccc(cc1)Cl)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 C29H32ClNO5 MW 510.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO5/c1-6-16(2)36-29(33)25-17(3)31-22-14-19(18-10-12-20(30)13-11-18)15-23(32)27(22)26(25)21-8-7-9-24(34-4)28(21)35-5/h7-13,16,19,26,31H,6,14-15H2,1-5H3InChIKey
AKAYTSNDHHNYMC-UHFFFAOYSA-NSynonyms
butan2yl7(4chlorophenyl)4(23dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl7(4chlorophenyl)4(23dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=C(C(=CC=C3)OC)OC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1OC)OC)C(=O)CC(C2)c1ccc(cc1)Cl)C
InChI=1SC29H32ClNO5c1616(2)3629(33)2517(3)31221419(18101220(30)131118)1523(32)27(22)26(25)2187924(344)28(21)355h71316192631H61415H215H3
MFCD01656010
STK055956
ZINC000000707876
ZINC000035981313
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