Vitas-M small molecule compound
2-(4-nitrobenzyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK293171
SMILES O=C1C2C3CCC(C2C(=O)N1Cc1ccc(cc1)[N+](=O)[O-])C=C3
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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 C17H16N2O4 MW 312.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O4/c20-16-14-11-3-4-12(6-5-11)15(14)17(21)18(16)9-10-1-7-13(8-2-10)19(22)23/h1-4,7-8,11-12,14-15H,5-6,9H2InChIKey
AYWZFTGIMWRJHE-UHFFFAOYSA-NSynonyms
2(4NITROBENZYL)3A477ATETRAHYDRO1H47ETHANOISOINDOLE13(2H)DIONE
C1CC2C=CC1C3C2C(=O)N(C3=O)CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC17H16N2O4c201614113412(6511)15(14)17(21)18(16)9101713(8210)19(22)23h147811121415H569H2
MFCD06621928
O=C1C2C3CCC(C2C(=O)N1Cc1ccc(cc1)(N+)(=O)(O))C=C3
ZINC000100411329
ZINC000229994716
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