Vitas-M small molecule compound
cyclopentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402809
SMILES O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)c1cccs1)OC1CCCC1
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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 C29H27NO5S MW 501.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO5S/c1-16-25(29(33)35-18-7-2-3-8-18)26(20-15-34-23-10-5-4-9-19(23)28(20)32)27-21(30-16)13-17(14-22(27)31)24-11-6-12-36-24/h4-6,9-12,15,17-18,26,30H,2-3,7-8,13-14H2,1H3InChIKey
RXWZHFFUSVLTJV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=COC5=CC=CC=C5C4=O)C(=O)OC6CCCC6
cyclopentyl2methyl5oxo4(4oxo4Hchromen3yl)7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl2methyl5oxo4(4oxochromen3yl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H27NO5Sc11625(29(33)3518723818)26(201534231054919(23)28(20)32)2721(3016)1317(1422(27)31)24116123624h469121517182630H23781314H21H3
MFCD02868525
ZINC000001456578
ZINC000001456581
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