Vitas-M small molecule compound
ethyl 1-(2-fluorophenyl)-4-(2-methoxyphenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK782850
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1ccccc1OC)c1ccccc1F
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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 C29H26FNO5S MW 519.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FNO5S/c1-3-36-29(34)27-19(24-13-8-14-37-24)15-22-26(28(27)33)18(17-9-4-7-12-23(17)35-2)16-25(32)31(22)21-11-6-5-10-20(21)30/h4-14,18-19,27H,3,15-16H2,1-2H3InChIKey
SNZRSYCQYKRFIZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=CC=C3F)C4=CC=CC=C4OC)C5=CC=CS5
ethyl1(2fluorophenyl)4(2methoxyphenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl1(2fluorophenyl)4(2methoxyphenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC29H26FNO5Sc133629(34)2719(24138143724)152226(28(27)33)18(179471223(17)352)1625(32)31(22)2111651020(21)30h414181927H31516H212H3
MFCD06617022
ZINC000012413090
ZINC000014944947
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