Vitas-M small molecule compound
2-phenoxyethyl 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
STK402998
SMILES O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)c1cccs1)OCCOc1ccccc1
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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/c1-19-28(32(36)38-14-13-37-21-8-3-2-4-9-21)29(23-18-39-26-11-6-5-10-22(26)31(23)35)30-24(33-19)16-20(17-25(30)34)27-12-7-15-40-27/h2-12,15,18,20,29,33H,13-14,16-17H2,1H3InChIKey
WKYDGNWWGIOPBD-UHFFFAOYSA-NSynonyms
2phenoxyethyl2methyl5oxo4(4oxo4Hchromen3yl)7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl2methyl5oxo4(4oxochromen3yl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=COC5=CC=CC=C5C4=O)C(=O)OCCOC6=CC=CC=C6
InChI=1SC32H27NO6Sc11928(32(36)38141337218324921)29(2318392611651022(26)31(23)35)3024(3319)1620(1725(30)34)27127154027h2121518202933H13141617H21H3
MFCD03371019
ZINC000002727305
ZINC000002727308
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