Vitas-M small molecule compound
4-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-5-nitrobenzene-1,2-dicarbonitrile
Catalog ID
STK388063
SMILES N#Cc1cc([N+](=O)[O-])c(cc1C#N)Oc1ccc(cc1n1nc2c(n1)cccc2)C
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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 C21H12N6O3 MW 396.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N6O3/c1-13-6-7-20(18(8-13)26-24-16-4-2-3-5-17(16)25-26)30-21-10-15(12-23)14(11-22)9-19(21)27(28)29/h2-10H,1H3InChIKey
KBPHAQYXXZVXNG-UHFFFAOYSA-NSynonyms
355397-45-4355397454
4(2(2Hbenzo(d)(123)triazol2yl)4methylphenoxy)5nitrophthalonitrile
4(2(2HBENZOTRIAZOL2YL)4METHYLPHENOXY)5NITROBENZENE12DICARBONITRILE
4(2(BENZOTRIAZOL2YL)4METHYLPHENOXY)5NITROBENZENE12DICARBONITRILE
CC1=CC(=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O))N3N=C4C=CC=CC4=N3
InChI=1SC21H12N6O3c1136720(18(813)262416423517(16)2526)30211015(1223)14(1122)919(21)27(28)29h210H1H3
MFCD02040991
N#Cc1cc((N+)(=O)(O))c(cc1C#N)Oc1ccc(cc1n1nc2c(n1)cccc2)C
ZINC000001307304
ZINC01307304
ZINC1307304
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