Vitas-M small molecule compound

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

Catalog ID
STL340359
SMILES C=CCn1c(SCc2nc3c([nH]2)cccc3)nnc1c1ccncc1

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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 C18H16N6S MW 348.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6S/c1-2-11-24-17(13-7-9-19-10-8-13)22-23-18(24)25-12-16-20-14-5-3-4-6-15(14)21-16/h2-10H,1,11-12H2,(H,20,21)
InChIKey
QLDRHFKEIMHABT-UHFFFAOYSA-N
Synonyms
577764-71-7
2(((4(PROP2EN1YL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)METHYL)1H13BENZODIAZOLE
2(((4(prop2en1yl)5(pyridin4yl)4H124triazol3yl)sulfanyl)methyl)1Hbenzimidazole
2(((4allyl5(pyridin4yl)4H124triazol3yl)thio)methyl)1Hbenzo(d)imidazole
2((4PROP2ENYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYLMETHYL)1HBENZIMIDAZOLE
3(BENZIMIDAZOL2YLMETHYLTHIO)4PROP2ENYL5(4PYRIDYL)124TRIAZOLE
577764717
C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=NC=C4
C=CCn1c(SCc2nc3c((nH)2)cccc3)nnc1c1ccncc1
InChI=1SC18H16N6Sc12112417(13791910813)222318(24)2512162014534615(14)2116h210H11112H2(H2021)
MFCD04018960
ZINC000000352134
ZINC00352134
ZINC352134

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Available files

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