Vitas-M small molecule compound
4-methoxybenzyl 2-methyl-5-oxo-4,7-di(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK085015
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccs1)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 C27H25NO4S2 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO4S2/c1-16-24(27(30)32-15-17-7-9-19(31-2)10-8-17)26(23-6-4-12-34-23)25-20(28-16)13-18(14-21(25)29)22-5-3-11-33-22/h3-12,18,26,28H,13-15H2,1-2H3InChIKey
BAVQILLWTOOIGC-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl2methyl5oxo47dithiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl2methyl5oxo47di(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CS4)C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)c1cccs1
InChI=1SC27H25NO4S2c11624(27(30)3215177919(312)10817)26(2364123423)2520(2816)1318(1421(25)29)2253113322h312182628H1315H212H3
MFCD03146339
STK085015
ZINC000000781681
ZINC000000781684
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