Vitas-M small molecule compound

1-butyl-5a,10,10-trihydroxy-4-(4-nitrophenyl)-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione

Catalog ID
STK777772
SMILES CCCCN1C(=O)C(=O)C2=C(OC3(C12C(O)(O)c1c3cccc1)O)c1ccc(cc1)[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 C23H20N2O8 MW 452.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O8/c1-2-3-12-24-20(27)18(26)17-19(13-8-10-14(11-9-13)25(31)32)33-23(30)16-7-5-4-6-15(16)22(28,29)21(17,23)24/h4-11,28-30H,2-3,12H2,1H3
InChIKey
XATZOOSJXQMREC-UHFFFAOYSA-N
Synonyms

1butyl5a1010trihydroxy4(4nitrophenyl)5a10dihydro1Hindeno(1223)furo(34b)pyrrole23dione
CCCCN1C(=O)C(=O)C2=C(OC3(C12C(O)(O)c1c3cccc1)O)c1ccc(cc1)(N+)(=O)(O)
CCCCN1C(=O)C(=O)C2=C(OC3(C21C(C4=CC=CC=C43)(O)O)O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC23H20N2O8c123122420(27)18(26)1719(1381014(11913)25(31)32)3323(30)16754615(16)22(2829)21(1723)24h4112830H2312H21H3
MFCD05854964
ZINC000012419984
ZINC000012419992

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Available files

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