Vitas-M small molecule compound
ethyl 2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL331013
SMILES CCOC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc2c1CCC(C2)C
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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 C22H20BrNO5S MW 490.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5S/c1-3-28-22(27)18-14-6-4-11(2)8-17(14)30-20(18)24-19(25)15-10-12-9-13(23)5-7-16(12)29-21(15)26/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,24,25)InChIKey
DDFVVHQTTGXCAO-UHFFFAOYSA-NSynonyms
302948-66-9302948669
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O
ethyl2(((6bromo2oxo2Hchromen3yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((6bromo2oxochromene3carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(6bromo2oxo2Hchromene3carboxamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC22H20BrNO5Sc132822(27)18146411(2)817(14)3020(18)2419(25)151012913(23)5716(12)2921(15)26h57911H3468H212H3(H2425)
MFCD01910674
ZINC000001771336
ZINC000001771338
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