Vitas-M small molecule compound
ethyl 2-{[(1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK952919
SMILES CCOC(=O)c1c(NC(=O)C2OC(=O)c3c(C2)cccc3)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/c1-2-26-21(25)17-14-9-5-6-10-16(14)28-19(17)22-18(23)15-11-12-7-3-4-8-13(12)20(24)27-15/h3-4,7-8,15H,2,5-6,9-11H2,1H3,(H,22,23)InChIKey
UGIUUZDDVXKLCU-UHFFFAOYSA-NSynonyms
499116-02-8499116028
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC4=CC=CC=C4C(=O)O3
ethyl2(((1oxo34dihydro1Hisochromen3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((1oxo34dihydroisochromene3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H21NO5Sc122621(25)17149561016(14)2819(17)2218(23)151112734813(12)20(24)2715h347815H256911H21H3(H2223)
MFCD03302355
ZINC000002708376
ZINC000002708377
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Check stock on Vitas-MAvailable files
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