Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methyl-7-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407124
SMILES Cc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1coc2c(c1=O)cc(cc2)Cl)C(=O)OCC1CCCO1)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 C32H30ClNO6 MW 560.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClNO6/c1-17-5-7-19(8-6-17)20-12-25-30(26(35)13-20)29(24-16-39-27-10-9-21(33)14-23(27)31(24)36)28(18(2)34-25)32(37)40-15-22-4-3-11-38-22/h5-10,14,16,20,22,29,34H,3-4,11-13,15H2,1-2H3InChIKey
BGSMAGNMSBVXCM-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2CC3=C(C(C(=C(N3)C)C(=O)OCC4CCCO4)C5=COC6=C(C5=O)C=C(C=C6)Cl)C(=O)C2
InChI=1SC32H30ClNO6c1175719(8617)20122530(26(35)1320)29(2416392710921(33)1423(27)31(24)36)28(18(2)3425)32(37)40152243113822h510141620222934H34111315H212H3
MFCD06628521
oxolan2ylmethyl4(6chloro4oxochromen3yl)2methyl7(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(6chloro4oxo4Hchromen3yl)2methyl7(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
ZINC000059626398
ZINC000059626410
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