Vitas-M small molecule compound
cyclopentyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403017
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1coc2c(c1=O)cccc2)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 C32H31NO6 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31NO6/c1-18-28(32(36)39-20-9-3-4-10-20)29(23-17-38-27-14-8-6-12-22(27)31(23)35)30-24(33-18)15-19(16-25(30)34)21-11-5-7-13-26(21)37-2/h5-8,11-14,17,19-20,29,33H,3-4,9-10,15-16H2,1-2H3InChIKey
UIGMDBNXBLASND-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=COC5=CC=CC=C5C4=O)C(=O)OC6CCCC6
cyclopentyl7(2methoxyphenyl)2methyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
cyclopentyl7(2methoxyphenyl)2methyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC32H31NO6c11828(32(36)39209341020)29(2317382714861222(27)31(23)35)3024(3318)1519(1625(30)34)2111571326(21)372h5811141719202933H349101516H212H3
MFCD03371032
ZINC000001074831
ZINC000001074843
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