Vitas-M small molecule compound
methyl 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK950163
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)C1(C)OC(=O)c2c(C1)cccc2
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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/c1-21(11-12-7-3-4-8-13(12)18(23)27-21)20(25)22-17-16(19(24)26-2)14-9-5-6-10-15(14)28-17/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,22,25)InChIKey
OERFMVUVFCFNPP-UHFFFAOYSA-NSynonyms
835896-32-7835896327
CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC
InChI=1SC21H21NO5Sc121(1112734813(12)18(23)2721)20(25)221716(19(24)262)149561015(14)2817h3478H56911H212H3(H2225)
methyl2(((3methyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3methyl1oxo4Hisochromene3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05847548
ZINC000002709867
ZINC000002709869
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