Vitas-M small molecule compound
ethyl 4-(3-methoxyphenyl)-2,5-dioxo-7-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686984
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1cccc(c1)OC)c1ccccc1C(F)(F)F
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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 C30H26F3NO5S MW 569.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26F3NO5S/c1-3-39-29(37)27-20(24-12-7-13-40-24)15-23-26(28(27)36)19(17-8-6-9-18(14-17)38-2)16-25(35)34(23)22-11-5-4-10-21(22)30(31,32)33/h4-14,19-20,27H,3,15-16H2,1-2H3InChIKey
ZAJWTCVYOYMZJC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=CC=C3C(F)(F)F)C4=CC(=CC=C4)OC)C5=CC=CS5
ethyl4(3methoxyphenyl)25dioxo7(thiophen2yl)1(2(trifluoromethyl)phenyl)12345678octahydroquinoline6carboxylate
ethyl4(3methoxyphenyl)25dioxo7thiophen2yl1(2(trifluoromethyl)phenyl)4678tetrahydro3Hquinoline6carboxylate
InChI=1SC30H26F3NO5Sc133929(37)2720(24127134024)152326(28(27)36)19(1786918(1417)382)1625(35)34(23)2211541021(22)30(3132)33h414192027H31516H212H3
MFCD06617024
ZINC000098008142
ZINC000103023002
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