Vitas-M small molecule compound
methyl 4-cyano-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-3-methylthiophene-2-carboxylate
Catalog ID
STK429771
SMILES COC(=O)c1sc(c(c1C)C#N)N1C(=O)C2C(C1=O)CC=CC2
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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 C16H14N2O4S MW 330.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O4S/c1-8-11(7-17)15(23-12(8)16(21)22-2)18-13(19)9-5-3-4-6-10(9)14(18)20/h3-4,9-10H,5-6H2,1-2H3InChIKey
KUKOXFGXHCJLLG-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C#N)N2C(=O)C3CC=CCC3C2=O)C(=O)OC
InChI=1SC16H14N2O4Sc1811(717)15(2312(8)16(21)222)1813(19)9534610(9)14(18)20h34910H56H212H3
methyl4cyano5(13dioxo133a477ahexahydro2Hisoindol2yl)3methylthiophene2carboxylate
METHYL4CYANO5(13DIOXO3A477ATETRAHYDROISOINDOL2YL)3METHYLTHIOPHENE2CARBOXYLATE
METHYL5(13DIOXO(473A7ATETRAHYDROISOINDOL2YL))4CYANO3METHYLTHIOPHENE2CARBOXYLATE
MFCD03233462
ZINC000017067675
ZINC000102204509
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