Vitas-M small molecule compound

2-(1,3-benzothiazol-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STL326745
SMILES O=C1N(c2nc3c(s2)cccc3)C(=O)C2C1CC=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 C15H12N2O2S MW 284.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N2O2S/c18-13-9-5-1-2-6-10(9)14(19)17(13)15-16-11-7-3-4-8-12(11)20-15/h1-4,7-10H,5-6H2
InChIKey
LMIYGYGCNVPVQW-UHFFFAOYSA-N
Synonyms
372172-63-9
2(13benzothiazol2yl)3a477atetrahydro1Hisoindole13(2H)dione
2(13BENZOTHIAZOL2YL)3A477ATETRAHYDROISOINDOLE13DIONE
2(benzo(d)thiazol2yl)3a477atetrahydro1Hisoindole13(2H)dione
372172639
C1C=CCC2C1C(=O)N(C2=O)C3=NC4=CC=CC=C4S3
InChI=1SC15H12N2O2Sc18139512610(9)14(19)17(13)151611734812(11)2015h14710H56H2
MFCD01122016
ZINC000013764777
ZINC000100709221

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Available files

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