Vitas-M small molecule compound
diethyl 5-oxo-4-phenyl-2-propyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776122
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)NC(=C(C2c1ccccc1)C(=O)OCC)CCC
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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 C28H31NO5S MW 493.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5S/c1-4-11-19-25(28(32)34-6-3)22(17-12-8-7-9-13-17)24-20(29-19)16-18(21-14-10-15-35-21)23(26(24)30)27(31)33-5-2/h7-10,12-15,18,22-23,29H,4-6,11,16H2,1-3H3InChIKey
JWRIWPGGMUITBP-UHFFFAOYSA-NSynonyms
CCCC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OCC)C3=CC=CS3)C4=CC=CC=C4)C(=O)OCC
diethyl5oxo4phenyl2propyl7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl5oxo4phenyl2propyl7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC28H31NO5Sc14111925(28(32)3463)22(17128791317)2420(2919)1618(211410153521)23(26(24)30)27(31)3352h710121518222329H461116H213H3
MFCD05258519
ZINC000001423002
ZINC000036037502
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