Vitas-M small molecule compound

ethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL019259
SMILES CCOC(=O)c1c(sc2c1CCC(C2)C)N1C(=O)C2C(C1=O)C1CC2C=C1

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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 C21H23NO4S MW 385.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4S/c1-3-26-21(25)17-13-7-4-10(2)8-14(13)27-20(17)22-18(23)15-11-5-6-12(9-11)16(15)19(22)24/h5-6,10-12,15-16H,3-4,7-9H2,1-2H3
InChIKey
FABZOJQAWLJUQV-UHFFFAOYSA-N
Synonyms
1005281-92-4
1005281924
CCOC(=O)C1=C(SC2=C1CCC(C2)C)N3C(=O)C4C5CC(C4C3=O)C=C5
ethyl2(13dioxo133a477ahexahydro2H47methanoisoindol2yl)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H23NO4Sc132621(25)17137410(2)814(13)2720(17)2218(23)15115612(911)16(15)19(22)24h5610121516H3479H212H3
MFCD05841214
ZINC000100903019
ZINC000239297305

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Available files

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