Vitas-M small molecule compound

2-{2-[(2-hydroxyethyl)amino]ethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STL079742
SMILES OCCNCCN1C(=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 C13H18N2O3 MW 250.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N2O3/c16-6-4-14-3-5-15-12(17)10-8-1-2-9(7-8)11(10)13(15)18/h1-2,8-11,14,16H,3-7H2
InChIKey
XDWKVGTWSHBCSO-UHFFFAOYSA-N
Synonyms
430428-95-8
(3AR4R7S7AS)2(2((2HYDROXYETHYL)AMINO)ETHYL)3A477ATETRAHYDRO1H47METHANOISOINDOLE13(2H)DIONE
2(2((2hydroxyethyl)amino)ethyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
430428958
C1C2C=CC1C3C2C(=O)N(C3=O)CCNCCO
InChI=1SC13H18N2O3c166414351512(17)108129(78)11(10)13(15)18h128111416H37H2
MFCD02329959
ZINC000100640161
ZINC000101677799

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Available files

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