Vitas-M small molecule compound
8-(diphenylmethylidene)-2-(2-methoxy-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL388317
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1/C(=C(/c3ccccc3)\c3ccccc3)/C2C=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 C29H22N2O5 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O5/c1-36-23-15-12-19(31(34)35)16-22(23)30-28(32)26-20-13-14-21(27(26)29(30)33)25(20)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,20-21,26-27H,1H3InChIKey
CRGLESUARFMDBY-UHFFFAOYSA-NSynonyms
8(diphenylmethylidene)2(2methoxy5nitrophenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6
COc1ccc(cc1N1C(=O)C2C(C1=O)C1C(=C(c3ccccc3)c3ccccc3)C2C=C1)(N+)(=O)(O)
InChI=1SC29H22N2O5c13623151219(31(34)35)1622(23)3028(32)2620131421(27(26)29(30)33)25(20)24(178425917)18106371118h21620212627H1H3
MFCD01802370
ZINC000101360506
ZINC000101360511
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