Vitas-M small molecule compound
ethyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402778
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CC(C2)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 C23H23NO4S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO4S/c1-3-28-23(27)20-13(2)24-17-11-15(19-8-5-9-29-19)12-18(26)22(17)21(20)14-6-4-7-16(25)10-14/h4-10,15,21,24-25H,3,11-12H2,1-2H3InChIKey
KZGHZWPXMAUULO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)O)C(=O)CC(C2)C4=CC=CS4)C
ethyl4(3hydroxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl4(3hydroxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H23NO4Sc132823(27)2013(2)24171115(198592919)1218(26)22(17)21(20)1464716(25)1014h41015212425H31112H212H3
MFCD02868486
ZINC000018167392
ZINC000100127266
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