Vitas-M small molecule compound
diethyl 4-[4-(methylsulfanyl)phenyl]-5-oxo-2-propyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683548
SMILES CCOC(=O)C1=C(CCC)NC2=C(C1c1ccc(cc1)SC)C(=O)C(C(C2)c1cccs1)C(=O)OCC
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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 C29H33NO5S2 MW 539.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5S2/c1-5-9-20-26(29(33)35-7-3)23(17-11-13-18(36-4)14-12-17)25-21(30-20)16-19(22-10-8-15-37-22)24(27(25)31)28(32)34-6-2/h8,10-15,19,23-24,30H,5-7,9,16H2,1-4H3InChIKey
SCAHLAWCZOTXAT-UHFFFAOYSA-NSynonyms
CCCC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OCC)C3=CC=CS3)C4=CC=C(C=C4)SC)C(=O)OCC
diethyl4(4(methylsulfanyl)phenyl)5oxo2propyl7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl4(4methylsulfanylphenyl)5oxo2propyl7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC29H33NO5S2c1592026(29(33)3573)23(17111318(364)141217)2521(3020)1619(22108153722)24(27(25)31)28(32)3462h8101519232430H57916H214H3
MFCD05258183
ZINC000001422757
ZINC000103011131
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