Vitas-M small molecule compound
2-[4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK270239
SMILES O=C1N(c2ccc(cc2)N2C(=O)c3c(C2=O)cccc3[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 C23H17N3O6 MW 431.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6/c27-20-15-2-1-3-16(26(31)32)19(15)23(30)24(20)13-6-8-14(9-7-13)25-21(28)17-11-4-5-12(10-11)18(17)22(25)29/h1-3,6-9,11-12,17-18H,4-5,10H2InChIKey
JYSHPOZBFNJAAJ-UHFFFAOYSA-NSynonyms
2(4(4nitro13dioxo13dihydro2Hisoindol2yl)phenyl)hexahydro1H47methanoisoindole13(2H)dione
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)(N+)(=O)(O)
InChI=1SC23H17N3O6c27201521316(26(31)32)19(15)23(30)24(20)136814(9713)2521(28)17114512(1011)18(17)22(25)29h136911121718H4510H2
MFCD02019662
O=C1N(c2ccc(cc2)N2C(=O)c3c(C2=O)cccc3(N+)(=O)(O))C(=O)C2C1C1CCC2C1
ZINC000100575495
ZINC000239125128
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