Vitas-M small molecule compound
5-chloro-2-(4-hydroxybutyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL329928
SMILES OCCCCN1C(=O)C2C(C1=O)CC(=CC2)Cl
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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 C12H16ClNO3 MW 257.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16ClNO3/c13-8-3-4-9-10(7-8)12(17)14(11(9)16)5-1-2-6-15/h3,9-10,15H,1-2,4-7H2InChIKey
DQPAUWCBHXPQSA-UHFFFAOYSA-NSynonyms
(3AR7AR)5CHLORO2(4HYDROXYBUTYL)3A477ATETRAHYDRO1HISOINDOLE13(2H)DIONE
(3AS7AR)5CHLORO2(4HYDROXYBUTYL)3A477ATETRAHYDRO1HISOINDOLE13(2H)DIONE
5chloro2(4hydroxybutyl)3a477atetrahydro1Hisoindole13(2H)dione
5CHLORO2(4HYDROXYBUTYL)3A477ATETRAHYDROISOINDOLE13DIONE
C1C=C(CC2C1C(=O)N(C2=O)CCCCO)Cl
InChI=1SC12H16ClNO3c13834910(78)12(17)14(11(9)16)512615h391015H1247H2
MFCD02989182
ZINC000002237599
ZINC000100729692
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