Vitas-M small molecule compound

ethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-5-methylthiophene-3-carboxylate

Catalog ID
STL019261
SMILES CCOC(=O)c1cc(sc1N1C(=O)C2C(C1=O)C1CC2C=C1)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 C17H17NO4S MW 331.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4S/c1-3-22-17(21)11-6-8(2)23-16(11)18-14(19)12-9-4-5-10(7-9)13(12)15(18)20/h4-6,9-10,12-13H,3,7H2,1-2H3
InChIKey
OYDZKIGZTJETQI-UHFFFAOYSA-N
Synonyms
1005108-49-5
1005108495
CCOC(=O)C1=C(SC(=C1)C)N2C(=O)C3C4CC(C3C2=O)C=C4
ethyl2(13dioxo133a477ahexahydro2H47methanoisoindol2yl)5methylthiophene3carboxylate
ETHYL2(13DIOXO3A477ATETRAHYDRO1H47METHANOISOINDOL2(3H)YL)5METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC17H17NO4Sc132217(21)1168(2)2316(11)1814(19)1294510(79)13(12)15(18)20h469101213H37H212H3
MFCD05841216
ZINC000100903029
ZINC000101587937

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.