Vitas-M small molecule compound
benzyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403166
SMILES Oc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccccc1
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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 C28H25NO4S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO4S/c1-17-25(28(32)33-16-18-7-3-2-4-8-18)26(19-9-5-10-21(30)13-19)27-22(29-17)14-20(15-23(27)31)24-11-6-12-34-24/h2-13,20,26,29-30H,14-16H2,1H3InChIKey
LMZGTKSIJNHFDR-UHFFFAOYSA-NSynonyms
benzyl4(3hydroxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl4(3hydroxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)O)C(=O)OCC5=CC=CC=C5
InChI=1SC28H25NO4Sc11725(28(32)3316187324818)26(19951021(30)1319)2722(2917)1420(1523(27)31)24116123424h21320262930H1416H21H3
MFCD03146469
ZINC000002502770
ZINC000100135001
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