Vitas-M small molecule compound
cyclopentyl 4-(6-chloro-4-oxo-4H-chromen-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK062083
SMILES COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1coc2c(c1=O)cc(cc2)Cl)C(=O)OC1CCCC1)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/c1-17-28(32(37)40-21-7-3-4-8-21)29(24-16-39-27-11-10-20(33)15-23(27)31(24)36)30-25(34-17)13-19(14-26(30)35)18-6-5-9-22(12-18)38-2/h5-6,9-12,15-16,19,21,29,34H,3-4,7-8,13-14H2,1-2H3InChIKey
LALOPDQJFCNSKD-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=CC=C3)OC)C4=COC5=C(C4=O)C=C(C=C5)Cl)C(=O)OC6CCCC6
COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1coc2c(c1=O)cc(cc2)Cl)C(=O)OC1CCCC1)C
cyclopentyl4(6chloro4oxo4Hchromen3yl)7(3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(6chloro4oxochromen3yl)7(3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC32H30ClNO6c11728(32(37)4021734821)29(24163927111020(33)1523(27)31(24)36)3025(3417)1319(1426(30)35)1865922(1218)382h56912151619212934H34781314H212H3
MFCD03489278
STK062083
ZINC000001434794
ZINC000001434797
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