Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-2,5-dioxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686899
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1cccc(c1)C(F)(F)F)C(=O)CC2c1ccc2c(c1)OCO2
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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 C30H24F3NO6S MW 583.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24F3NO6S/c1-2-38-29(37)27-20(24-7-4-10-41-24)13-21-26(28(27)36)19(16-8-9-22-23(11-16)40-15-39-22)14-25(35)34(21)18-6-3-5-17(12-18)30(31,32)33/h3-12,19-20,27H,2,13-15H2,1H3InChIKey
CYJRWCWVWDZWNL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=CC(=C3)C(F)(F)F)C4=CC5=C(C=C4)OCO5)C6=CC=CS6
ethyl4(13benzodioxol5yl)25dioxo7(thiophen2yl)1(3(trifluoromethyl)phenyl)12345678octahydroquinoline6carboxylate
ethyl4(13benzodioxol5yl)25dioxo7thiophen2yl1(3(trifluoromethyl)phenyl)4678tetrahydro3Hquinoline6carboxylate
InChI=1SC30H24F3NO6Sc123829(37)2720(2474104124)132126(28(27)36)19(16892223(1116)40153922)1425(35)34(21)1863517(1218)30(3132)33h312192027H21315H21H3
MFCD06616692
ZINC000098008116
ZINC000103022734
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