Vitas-M small molecule compound
ethyl 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686767
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2c1ccc(cc1)F)c1ccc(c(c1)OC)OC)c1cccs1
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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 C30H28FNO6S MW 549.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28FNO6S/c1-4-38-30(35)28-21(25-6-5-13-39-25)15-22-27(29(28)34)20(17-7-12-23(36-2)24(14-17)37-3)16-26(33)32(22)19-10-8-18(31)9-11-19/h5-14,20-21,28H,4,15-16H2,1-3H3InChIKey
OUNDFELVMRRYNS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=C(C=C3)F)C4=CC(=C(C=C4)OC)OC)C5=CC=CS5
ethyl4(34dimethoxyphenyl)1(4fluorophenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(34dimethoxyphenyl)1(4fluorophenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC30H28FNO6Sc143830(35)2821(2565133925)152227(29(28)34)20(1771223(362)24(1417)373)1626(33)32(22)1910818(31)91119h514202128H41516H213H3
MFCD06017452
ZINC000098008074
ZINC000217693171
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