Vitas-M small molecule compound
methyl 2-{[(7-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021792
SMILES COC(=O)c1c(NC(=O)C2OC(=O)c3c(C2)ccc(c3)C)sc2c1CCCC2
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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 C21H21NO5S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5S/c1-11-7-8-12-10-15(27-20(24)14(12)9-11)18(23)22-19-17(21(25)26-2)13-5-3-4-6-16(13)28-19/h7-9,15H,3-6,10H2,1-2H3,(H,22,23)InChIKey
AUPUGQHCPJDNED-UHFFFAOYSA-NSynonyms
CC1=CC2=C(CC(OC2=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C=C1
InChI=1SC21H21NO5Sc11178121015(2720(24)14(12)911)18(23)221917(21(25)262)13534616(13)2819h7915H3610H212H3(H2223)
methyl2(((7methyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((7methyl1oxo34dihydroisochromene3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06438614
ZINC000004540068
ZINC000004540069
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