Vitas-M small molecule compound
2-methylpropyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402783
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)c1cccs1)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 C25H27NO4S MW 437.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO4S/c1-14(2)13-30-25(29)22-15(3)26-19-11-17(21-8-5-9-31-21)12-20(28)24(19)23(22)16-6-4-7-18(27)10-16/h4-10,14,17,23,26-27H,11-13H2,1-3H3InChIKey
NFVGQWMKSVJSOC-UHFFFAOYSA-NSynonyms
2methylpropyl4(3hydroxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methylpropyl4(3hydroxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)O)C(=O)OCC(C)C
InChI=1SC25H27NO4Sc114(2)133025(29)2215(3)26191117(218593121)1220(28)24(19)23(22)1664718(27)1016h4101417232627H1113H213H3
MFCD02868492
ZINC000001456566
ZINC000100127283
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