Vitas-M small molecule compound
ethyl 1-(4-fluorophenyl)-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
STK686982
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2c1ccc(cc1)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 C31H30FNO7S MW 579.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30FNO7S/c1-5-40-31(36)28-21(25-7-6-12-41-25)15-22-27(29(28)35)20(16-26(34)33(22)19-10-8-18(32)9-11-19)17-13-23(37-2)30(39-4)24(14-17)38-3/h6-14,20-21,28H,5,15-16H2,1-4H3InChIKey
VEPZMNCWWJAIOU-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)OC)C5=CC=CS5
ethyl1(4fluorophenyl)25dioxo7(thiophen2yl)4(345trimethoxyphenyl)12345678octahydroquinoline6carboxylate
ethyl1(4fluorophenyl)25dioxo7thiophen2yl4(345trimethoxyphenyl)4678tetrahydro3Hquinoline6carboxylate
InChI=1SC31H30FNO7Sc154031(36)2821(2576124125)152227(29(28)35)20(1626(34)33(22)1910818(32)91119)171323(372)30(394)24(1417)383h614202128H51516H214H3
MFCD06617021
ZINC000098008134
ZINC000217698498
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