Vitas-M small molecule compound
2-methylpropyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402811
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)c1cccs1)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 C29H29NO5S MW 503.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO5S/c1-15(2)13-35-29(33)25-17(4)30-21-11-18(24-6-5-9-36-24)12-22(31)27(21)26(25)20-14-34-23-8-7-16(3)10-19(23)28(20)32/h5-10,14-15,18,26,30H,11-13H2,1-4H3InChIKey
RODLAKIJPNZOFY-UHFFFAOYSA-NSynonyms
2methylpropyl2methyl4(6methyl4oxo4Hchromen3yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methylpropyl2methyl4(6methyl4oxochromen3yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)C5=CC=CS5)NC(=C3C(=O)OCC(C)C)C
InChI=1SC29H29NO5Sc115(2)133529(33)2517(4)30211118(246593624)1222(31)27(21)26(25)201434238716(3)1019(23)28(20)32h5101415182630H1113H214H3
MFCD02868528
ZINC000009985918
ZINC000009985935
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