Vitas-M small molecule compound

8-(propan-2-ylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STK258022
SMILES O=C1NC(=O)C2C1C1C=CC2C1=C(C)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 C12H13NO2 MW 203.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO2/c1-5(2)8-6-3-4-7(8)10-9(6)11(14)13-12(10)15/h3-4,6-7,9-10H,1-2H3,(H,13,14,15)
InChIKey
MOUDGOQQAUDGFJ-UHFFFAOYSA-N
Synonyms
4558-44-5
4558445
8(PROPAN2YLIDENE)3A477ATETRAHYDRO1H47METHANOISOINDOLE13(2H)DIONE
CC(=C1C2C=CC1C3C2C(=O)NC3=O)C
InChI=1SC12H13NO2c15(2)86347(8)109(6)11(14)1312(10)15h3467910H12H3(H131415)
MFCD01460852
ZINC000100072382
ZINC000101170736

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Available files

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