Vitas-M small molecule compound
dimethyl 2-methyl-4-(2-methylphenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776125
SMILES COC(=O)C1C(=O)C2=C(CC1c1cccs1)NC(=C(C2c1ccccc1C)C(=O)OC)C
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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 C25H25NO5S MW 451.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5S/c1-13-8-5-6-9-15(13)20-19(24(28)30-3)14(2)26-17-12-16(18-10-7-11-32-18)21(25(29)31-4)23(27)22(17)20/h5-11,16,20-21,26H,12H2,1-4H3InChIKey
HMGCNXMRZAIPFU-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1C2C3=C(CC(C(C3=O)C(=O)OC)C4=CC=CS4)NC(=C2C(=O)OC)C
dimethyl2methyl4(2methylphenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl2methyl4(2methylphenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC25H25NO5Sc113856915(13)2019(24(28)303)14(2)26171216(18107113218)21(25(29)314)23(27)22(17)20h51116202126H12H214H3
MFCD05258526
ZINC000001423008
ZINC000217604468
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