Vitas-M small molecule compound
ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK760523
SMILES CCOC(=O)c1c(sc2c1CCCCCCCCCC2)NC(=O)c1cc2cc(Br)ccc2oc1=O
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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 C27H30BrNO5S MW 560.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30BrNO5S/c1-2-33-27(32)23-19-11-9-7-5-3-4-6-8-10-12-22(19)35-25(23)29-24(30)20-16-17-15-18(28)13-14-21(17)34-26(20)31/h13-16H,2-12H2,1H3,(H,29,30)InChIKey
PXUMAKIKAQMTCI-UHFFFAOYSA-NSynonyms
312534-87-5312534875
CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O
ethyl2(((6bromo2oxo2Hchromen3yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ethyl2((6bromo2oxochromene3carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
InChI=1SC27H30BrNO5Sc123327(32)2319119753468101222(19)3525(23)2924(30)2016171518(28)131421(17)3426(20)31h1316H212H21H3(H2930)
MFCD01417619
ZINC000002092410
ZINC02092410
ZINC2092410
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