Vitas-M small molecule compound

4-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile

Catalog ID
STK862823
SMILES N#Cc1ccc(c(c1)[N+](=O)[O-])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 C20H13N5O3 MW 371.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N5O3/c1-13-6-8-19(28-20-9-7-14(12-21)11-18(20)25(26)27)17(10-13)24-22-15-4-2-3-5-16(15)23-24/h2-11H,1H3
InChIKey
TULVDZTYRLPZLS-UHFFFAOYSA-N
Synonyms
356079-06-6
356079066
4(2(2Hbenzo(d)(123)triazol2yl)4methylphenoxy)3nitrobenzonitrile
4(2(2Hbenzotriazol2yl)4methylphenoxy)3nitrobenzonitrile
4(2(BENZOTRIAZOL2YL)4METHYLPHENOXY)3NITROBENZONITRILE
CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C#N)(N+)(=O)(O))N3N=C4C=CC=CC4=N3
InChI=1SC20H13N5O3c1136819(28209714(1221)1118(20)25(26)27)17(1013)242215423516(15)2324h211H1H3
MFCD01435611
N#Cc1ccc(c(c1)(N+)(=O)(O))Oc1ccc(cc1n1nc2c(n1)cccc2)C
ZINC000001170857
ZINC01170857
ZINC1170857

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Available files

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