Vitas-M small molecule compound

5,6-dihydroxy-2-(3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STL317767
SMILES OC1C(O)C2CC1C1C2C(=O)N(C1=O)c1cccc(c1)[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 C15H14N2O6 MW 318.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O6/c18-12-8-5-9(13(12)19)11-10(8)14(20)16(15(11)21)6-2-1-3-7(4-6)17(22)23/h1-4,8-13,18-19H,5H2
InChIKey
DRDIELJJGFXSFB-UHFFFAOYSA-N
Synonyms

(3aR4R5S6S7S7aS)56dihydroxy2(3nitrophenyl)hexahydro1H47methanoisoindole13(2H)dione
56dihydroxy2(3nitrophenyl)hexahydro1H47methanoisoindole13(2H)dione
C1C2C3C(C1C(C2O)O)C(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC15H14N2O6c1812859(13(12)19)1110(8)14(20)16(15(11)21)62137(46)17(22)23h148131819H5H2
MFCD00533792
OC1(C@@H)(O)C2CC1C1C2C(=O)N(C1=O)c1cccc(c1)(N+)(=O)(O)
OC1C(O)C2CC1C1C2C(=O)N(C1=O)c1cccc(c1)(N+)(=O)(O)
ZINC000105295375
ZINC000245239808

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Available files

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