Vitas-M small molecule compound
dimethyl 2-methyl-5-oxo-4-(pyridin-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683674
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1cccnc1)C(=C(N2)C)C(=O)OC)c1cccs1
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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 C23H22N2O5S MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S/c1-12-17(22(27)29-2)18(13-6-4-8-24-11-13)20-15(25-12)10-14(16-7-5-9-31-16)19(21(20)26)23(28)30-3/h4-9,11,14,18-19,25H,10H2,1-3H3InChIKey
VXHDNWGFOLWMBG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OC)C3=CC=CS3)C4=CN=CC=C4)C(=O)OC
dimethyl2methyl5oxo4(pyridin3yl)7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl2methyl5oxo4pyridin3yl7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC23H22N2O5Sc11217(22(27)292)18(13648241113)2015(2512)1014(167593116)19(21(20)26)23(28)303h491114181925H10H213H3
MFCD05258527
ZINC000019857949
ZINC000217604623
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