Vitas-M small molecule compound
2-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK275128
SMILES O=C1C2C3CCC(C2C(=O)N1c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])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 C23H17N3O6 MW 431.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6/c27-20-16-8-7-15(26(31)32)10-17(16)21(28)24(20)13-3-5-14(6-4-13)25-22(29)18-11-1-2-12(9-11)19(18)23(25)30/h3-8,10-12,18-19H,1-2,9H2InChIKey
PTEOVZFEVIBIJC-UHFFFAOYSA-NSynonyms
2(4(5nitro13dioxo13dihydro2Hisoindol2yl)phenyl)hexahydro1H47methanoisoindole13(2H)dione
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)(N+)(=O)(O)
InChI=1SC23H17N3O6c2720168715(26(31)32)1017(16)21(28)24(20)133514(6413)2522(29)18111212(911)19(18)23(25)30h3810121819H129H2
MFCD03185949
O=C1C2C3CCC(C2C(=O)N1c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O))C3
ZINC000101097551
ZINC000239174312
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