Vitas-M small molecule compound

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

Catalog ID
STK597663
SMILES COc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1ccccn1

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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 C22H18N6OS MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6OS/c1-29-16-11-9-15(10-12-16)28-21(19-8-4-5-13-23-19)26-27-22(28)30-14-20-24-17-6-2-3-7-18(17)25-20/h2-13H,14H2,1H3,(H,24,25)
InChIKey
ACLMRORASQMUSW-UHFFFAOYSA-N
Synonyms
900284-49-3
1(3(BENZIMIDAZOL2YLMETHYLTHIO)5(2PYRIDYL)(124TRIAZOL4YL))4METHOXYBENZENE
2(((4(4METHOXYPHENYL)5(PYRIDIN2YL)4H124TRIAZOL3YL)SULFANYL)METHYL)1H13BENZODIAZOLE
2(((4(4methoxyphenyl)5(pyridin2yl)4H124triazol3yl)sulfanyl)methyl)1Hbenzimidazole
2(((4(4methoxyphenyl)5(pyridin2yl)4H124triazol3yl)thio)methyl)1Hbenzo(d)imidazole
2((4(4METHOXYPHENYL)5PYRIDIN2YL124TRIAZOL3YL)SULFANYLMETHYL)1HBENZIMIDAZOLE
900284493
COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=CC=N5
COc1ccc(cc1)n1c(SCc2nc3c((nH)2)cccc3)nnc1c1ccccn1
InChI=1SC22H18N6OSc1291611915(101216)2821(19845132319)262722(28)3014202417623718(17)2520h213H14H21H3(H2425)
MFCD06611313
ZINC000013238198
ZINC13238198

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Available files

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