Vitas-M small molecule compound

3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-amine

Catalog ID
STK863332
SMILES Nn1c(SCc2nc3c([nH]2)cccc3)nnc1c1cccnc1

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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 C15H13N7S MW 323.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N7S/c16-22-14(10-4-3-7-17-8-10)20-21-15(22)23-9-13-18-11-5-1-2-6-12(11)19-13/h1-8H,9,16H2,(H,18,19)
InChIKey
JKOIFUPMGANGRE-UHFFFAOYSA-N
Synonyms
3(((1Hbenzo(d)imidazol2yl)methyl)thio)5(pyridin3yl)4H124triazol4amine
3((1Hbenzimidazol2ylmethyl)sulfanyl)5(pyridin3yl)4H124triazol4amine
3(1HBENZIMIDAZOL2YLMETHYLSULFANYL)5PYRIDIN3YL124TRIAZOL4AMINE
3(BENZIMIDAZOL2YLMETHYLTHIO)5(3PYRIDYL)124TRIAZOLE4YLAMINE
C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3N)C4=CN=CC=C4
Nn1c(SCc2nc3c((nH)2)cccc3)nnc1c1cccnc1
Registry IDs
MFCD02985352
ZINC000000459220
ZINC00459220
ZINC459220

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Available files

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