Vitas-M small molecule compound
4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenoxy]-3-nitrobenzonitrile
Catalog ID
STK388170
SMILES N#Cc1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1)N1C(=O)C2C(C1=O)CCCC2
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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 C21H17N3O5 MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5/c22-12-13-5-10-19(18(11-13)24(27)28)29-15-8-6-14(7-9-15)23-20(25)16-3-1-2-4-17(16)21(23)26/h5-11,16-17H,1-4H2InChIKey
PWOLCELAAVSXLD-UHFFFAOYSA-NSynonyms
4(4(13dioxo3a45677ahexahydroisoindol2yl)phenoxy)3nitrobenzonitrile
4(4(13DIOXOOCTAHYDRO2HISOINDOL2YL)PHENOXY)3NITROBENZONITRILE
4(4(13DIOXOOCTAHYDROISOINDOL2YL)PHENOXY)3NITROBENZONITRILE
C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C#N)(N+)(=O)(O)
InChI=1SC21H17N3O5c22121351019(18(1113)24(27)28)29158614(7915)2320(25)16312417(16)21(23)26h5111617H14H2
MFCD02041190
N#Cc1ccc(c(c1)(N+)(=O)(O))Oc1ccc(cc1)N1C(=O)C2C(C1=O)CCCC2
ZINC000012374519
ZINC000100084137
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