Vitas-M small molecule compound

4-nitro-2-[(E)-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]imino}methyl]phenol

Catalog ID
STK023385
SMILES Oc1ccc(cc1/C=N/c1nc2c(n1C(C)C)cccc2)[N+](=O)[O-]

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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 C17H16N4O3 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O3/c1-11(2)20-15-6-4-3-5-14(15)19-17(20)18-10-12-9-13(21(23)24)7-8-16(12)22/h3-11,22H,1-2H3/b18-10+
InChIKey
RTZZMPYWWUCJLC-VCHYOVAHSA-N
Synonyms

4nitro2((E)((1(propan2yl)1Hbenzimidazol2yl)imino)methyl)phenol
MFCD01165940
Oc1ccc(cc1C=Nc1nc2c(n1C(C)C)cccc2)(N+)(=O)(O)
STK023385
ZINC000019907705

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.