Vitas-M small molecule compound
4-methoxybenzyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403003
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C32H27NO6S MW 553.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27NO6S/c1-18-28(32(36)39-16-19-9-11-21(37-2)12-10-19)29(23-17-38-26-7-4-3-6-22(26)31(23)35)30-24(33-18)14-20(15-25(30)34)27-8-5-13-40-27/h3-13,17,20,29,33H,14-16H2,1-2H3InChIKey
GZGHGWNTPDSGEM-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl2methyl5oxo4(4oxochromen3yl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl2methyl5oxo4(4oxo4Hchromen3yl)7(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=COC5=CC=CC=C5C4=O)C(=O)OCC6=CC=C(C=C6)OC
InChI=1SC32H27NO6Sc11828(32(36)39161991121(372)121019)29(23173826743622(26)31(23)35)3024(3318)1420(1525(30)34)2785134027h31317202933H1416H212H3
MFCD03371021
ZINC000001152096
ZINC000001152099
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