Vitas-M small molecule compound

4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}phenol

Catalog ID
STK205102
SMILES Oc1ccc(cc1)n1cccc1/C=N/n1cnnc1

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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 C13H11N5O MW 253.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N5O/c19-13-5-3-11(4-6-13)18-7-1-2-12(18)8-16-17-9-14-15-10-17/h1-10,19H/b16-8+
InChIKey
CWVHXBBIXWGQBP-LZYBPNLTSA-N
Synonyms
444545-01-1
(E)4(2(((4H124triazol4yl)imino)methyl)1Hpyrrol1yl)phenol
4(2((4H124TRIAZOL4YLIMINO)METHYL)1HPYRROL1YL)PHENOL
4(2((E)(4H124TRIAZOL4YLIMINO)METHYL)1HPYRROL1YL)PHENOL
4(2((E)124TRIAZOL4YLIMINOMETHYL)PYRROL1YL)PHENOL
444545011
C1=CN(C(=C1)C=NN2C=NN=C2)C3=CC=C(C=C3)O
InChI=1SC13H11N5Oc19135311(4613)1871212(18)81617914151017h11019Hb168+
MFCD03923208
Oc1ccc(cc1)n1cccc1C=Nn1cnnc1
ZINC000000310335
ZINC00310334
ZINC310334

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Available files

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