Vitas-M small molecule compound
ethyl 1-(2,4-difluorophenyl)-2,5-dioxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK685653
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2c1ccc(cc1F)F)c1cc(OC)c(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 C31H29F2NO7S MW 597.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29F2NO7S/c1-5-41-31(37)28-19(25-7-6-10-42-25)14-22-27(29(28)36)18(16-11-23(38-2)30(40-4)24(12-16)39-3)15-26(35)34(22)21-9-8-17(32)13-20(21)33/h6-13,18-19,28H,5,14-15H2,1-4H3InChIKey
ISIAAVCDCSSISB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=C(C=C(C=C3)F)F)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC=CS5
ethyl1(24difluorophenyl)25dioxo7(thiophen2yl)4(345trimethoxyphenyl)12345678octahydroquinoline6carboxylate
ethyl1(24difluorophenyl)25dioxo7thiophen2yl4(345trimethoxyphenyl)4678tetrahydro3Hquinoline6carboxylate
InChI=1SC31H29F2NO7Sc154131(37)2819(2576104225)142227(29(28)36)18(161123(382)30(404)24(1216)393)1526(35)34(22)219817(32)1320(21)33h613181928H51415H214H3
MFCD05859988
ZINC000001430904
ZINC000217660579
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