Vitas-M small molecule compound

2-{[(4-amino-2-hydroxyphenyl)amino]methyl}-5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STL304841
SMILES ClC1=CCC2C(C1)C(=O)N(C2=O)CNc1ccc(cc1O)N

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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 C15H16ClN3O3 MW 321.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClN3O3/c16-8-1-3-10-11(5-8)15(22)19(14(10)21)7-18-12-4-2-9(17)6-13(12)20/h1-2,4,6,10-11,18,20H,3,5,7,17H2
InChIKey
PHWDNIUYVWULSB-UHFFFAOYSA-N
Synonyms
371951-91-6
2(((4amino2hydroxyphenyl)amino)methyl)5chloro3a477atetrahydro1Hisoindole13(2H)dione
2((4AMINO2HYDROXYANILINO)METHYL)5CHLORO3A477ATETRAHYDROISOINDOLE13DIONE
371951916
C1C=C(CC2C1C(=O)N(C2=O)CNC3=C(C=C(C=C3)N)O)Cl
InChI=1SC15H16ClN3O3c168131011(58)15(22)19(14(10)21)71812429(17)613(12)20h124610111820H35717H2
MFCD01874972
ZINC000000500002
ZINC000100702752

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Available files

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