Vitas-M small molecule compound
dimethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776929
SMILES CCN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)C(C(C2)c1cccs1)C(=O)OC)C(=O)OC)CC
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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 C28H32N2O5S MW 508.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O5S/c1-6-30(7-2)18-12-10-17(11-13-18)23-22(27(32)34-4)16(3)29-20-15-19(21-9-8-14-36-21)24(28(33)35-5)26(31)25(20)23/h8-14,19,23-24,29H,6-7,15H2,1-5H3InChIKey
RCBZZVRCAVLPNA-UHFFFAOYSA-NSynonyms
CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C4=CC=CS4)NC(=C2C(=O)OC)C
dimethyl4(4(diethylamino)phenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl4(4(diethylamino)phenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC28H32N2O5Sc1630(72)18121017(111318)2322(27(32)344)16(3)29201519(2198143621)24(28(33)355)26(31)25(20)23h81419232429H6715H215H3
MFCD05259767
ZINC000001424294
ZINC000015320363
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