Vitas-M small molecule compound

2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STL387418
SMILES O=C1N(/N=C/c2ccc3c(c2)OCO3)C(=O)C2C1C1C=CC2C1

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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 C17H14N2O4 MW 310.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O4/c20-16-14-10-2-3-11(6-10)15(14)17(21)19(16)18-7-9-1-4-12-13(5-9)23-8-22-12/h1-5,7,10-11,14-15H,6,8H2/b18-7+
InChIKey
PJMJPIBHOLSXEM-CNHKJKLMSA-N
Synonyms

2(((E)13benzodioxol5ylmethylidene)amino)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1C2C=CC1C3C2C(=O)N(C3=O)N=CC4=CC5=C(C=C4)OCO5
InChI=1SC17H14N2O4c201614102311(610)15(14)17(21)19(16)1879141213(59)2382212h15710111415H68H2b187+
MFCD01189982
O=C1N(N=Cc2ccc3c(c2)OCO3)C(=O)C2C1C1C=CC2C1
ZINC000100722346
ZINC000245226866

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Available files

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