Vitas-M small molecule compound
4-nitrophenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK274741
SMILES O=C1N(c2ccc(cc2)C(=O)Oc2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C1CCC2C1
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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 C22H18N2O6 MW 406.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O6/c25-20-18-13-1-2-14(11-13)19(18)21(26)23(20)15-5-3-12(4-6-15)22(27)30-17-9-7-16(8-10-17)24(28)29/h3-10,13-14,18-19H,1-2,11H2InChIKey
ZOBXGJYNWYFWLQ-UHFFFAOYSA-NSynonyms
4nitrophenyl4(13dioxooctahydro2H47methanoisoindol2yl)benzoate
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H18N2O6c252018131214(1113)19(18)21(26)23(20)155312(4615)22(27)30179716(81017)24(28)29h31013141819H1211H2
MFCD03165081
O=C1N(c2ccc(cc2)C(=O)Oc2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C1CCC2C1
ZINC000100917394
ZINC000239439193
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