Vitas-M small molecule compound
ethyl 6-methyl-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK338182
SMILES CCOC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)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 C22H21NO5S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S/c1-3-27-22(26)18-15-9-8-12(2)10-17(15)29-20(18)23-19(24)16-11-13-6-4-5-7-14(13)21(25)28-16/h4-7,11-12H,3,8-10H2,1-2H3,(H,23,24)InChIKey
PVNIHQKHAXYMQO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=CC=CC=C4C(=O)O3
ethyl6methyl2(((1oxo1Hisochromen3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2((1oxoisochromene3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H21NO5Sc132722(26)18159812(2)1017(15)2920(18)2319(24)161113645714(13)21(25)2816h471112H3810H212H3(H2324)
MFCD06438885
ZINC000004540185
ZINC000004540186
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