Vitas-M small molecule compound
4-methoxybenzyl 7-(furan-2-yl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406052
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)c1ccco1
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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 C27H25NO5S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5S/c1-16-24(27(30)33-15-17-7-9-19(31-2)10-8-17)26(23-6-4-12-34-23)25-20(28-16)13-18(14-21(25)29)22-5-3-11-32-22/h3-12,18,26,28H,13-15H2,1-2H3InChIKey
BKLBOQKPGQUKTD-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl7(furan2yl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl7(furan2yl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC=CS4)C(=O)OCC5=CC=C(C=C5)OC
InChI=1SC27H25NO5Sc11624(27(30)3315177919(312)10817)26(2364123423)2520(2816)1318(1421(25)29)2253113222h312182628H1315H212H3
MFCD04215910
ZINC000020322871
ZINC000020322888
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