Vitas-M small molecule compound

2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-benzimidazole

Catalog ID
STK683333
SMILES Cc1nnc([nH]1)SCc1nc2c([nH]1)cccc2

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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 C11H11N5S MW 245.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11N5S/c1-7-12-11(16-15-7)17-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6H2,1H3,(H,13,14)(H,12,15,16)
InChIKey
VVGZOUNSQYXDBG-UHFFFAOYSA-N
Synonyms

1H13BENZIMIDAZOLE2(((5METHYL4H124TRIAZOL3YL)THIO)METHYL)
2(((5methyl4H124triazol3yl)sulfanyl)methyl)1Hbenzimidazole
2((5METHYL1H124TRIAZOL3YL)SULFANYLMETHYL)1HBENZIMIDAZOLE
5(BENZIMIDAZOL2YLMETHYLTHIO)3METHYL4H124TRIAZOLE
CC1=NC(=NN1)SCC2=NC3=CC=CC=C3N2
Cc1nnc((nH)1)SCc1nc2c((nH)1)cccc2
InChI=1SC11H11N5Sc171211(16157)1761013842359(8)1410h25H6H21H3(H1314)(H121516)
MFCD05257448
ZINC000004623185
ZINC04623185
ZINC4623185

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Available files

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