Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402797
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
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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 C28H31NO6S MW 509.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO6S/c1-3-33-23-14-17(8-9-21(23)30)26-25(28(32)35-15-19-6-4-10-34-19)16(2)29-20-12-18(13-22(31)27(20)26)24-7-5-11-36-24/h5,7-9,11,14,18-19,26,29-30H,3-4,6,10,12-13,15H2,1-2H3InChIKey
JXWJBPDULVOJNO-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5CCCO5)C)O
InChI=1SC28H31NO6Sc1333231417(8921(23)30)2625(28(32)35151964103419)16(2)29201218(1322(31)27(20)26)2475113624h57911141819262930H34610121315H212H3
MFCD02868509
oxolan2ylmethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000001456573
ZINC000015276519
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