Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-1-(2,4-difluorophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686827
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1ccc2c(c1)OCO2)c1ccc(cc1F)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 C29H23F2NO6S MW 551.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23F2NO6S/c1-2-36-29(35)27-18(24-4-3-9-39-24)12-21-26(28(27)34)17(15-5-8-22-23(10-15)38-14-37-22)13-25(33)32(21)20-7-6-16(30)11-19(20)31/h3-11,17-18,27H,2,12-14H2,1H3InChIKey
MLPZCJOKPVCFRF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=C(C=C(C=C3)F)F)C4=CC5=C(C=C4)OCO5)C6=CC=CS6
ethyl4(13benzodioxol5yl)1(24difluorophenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(13benzodioxol5yl)1(24difluorophenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC29H23F2NO6Sc123629(35)2718(244393924)122126(28(27)34)17(15582223(1015)38143722)1325(33)32(21)207616(30)1119(20)31h311171827H21214H21H3
MFCD06017825
ZINC000098008096
ZINC000103022466
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