Vitas-M small molecule compound
dimethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK777628
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1ccc(c(c1)OC)O)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 C25H25NO7S MW 483.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO7S/c1-12-19(24(29)32-3)20(13-7-8-16(27)17(10-13)31-2)22-15(26-12)11-14(18-6-5-9-34-18)21(23(22)28)25(30)33-4/h5-10,14,20-21,26-27H,11H2,1-4H3InChIKey
QPMHNDBVAUWGJQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OC)C3=CC=CS3)C4=CC(=C(C=C4)O)OC)C(=O)OC
dimethyl4(4hydroxy3methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl4(4hydroxy3methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC25H25NO7Sc11219(24(29)323)20(137816(27)17(1013)312)2215(2612)1114(186593418)21(23(22)28)25(30)334h5101420212627H11H214H3
MFCD05854749
ZINC000019858546
ZINC000217633841
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