Vitas-M small molecule compound

2-(2-hydroxy-4-nitrophenyl)-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK264456
SMILES CC1=CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1O)[N+](=O)[O-]

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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 C15H14N2O5 MW 302.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O5/c1-8-2-4-10-11(6-8)15(20)16(14(10)19)12-5-3-9(17(21)22)7-13(12)18/h2-3,5,7,10-11,18H,4,6H2,1H3
InChIKey
BMSHSEAZTNOHBB-UHFFFAOYSA-N
Synonyms

2(2hydroxy4nitrophenyl)5methyl3a477atetrahydro1Hisoindole13(2H)dione
2(2HYDROXY4NITROPHENYL)5METHYL3A477ATETRAHYDROISOINDOLE13DIONE
CC1=CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1O)(N+)(=O)(O)
CC1=CCC2C(C1)C(=O)N(C2=O)C3=C(C=C(C=C3)(N+)(=O)(O))O
InChI=1SC15H14N2O5c18241011(68)15(20)16(14(10)19)12539(17(21)22)713(12)18h2357101118H46H21H3
MFCD04082873
ZINC000006050490
ZINC000100396942

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Available files

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