Vitas-M small molecule compound
4-({[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STK279353
SMILES N#Cc1ccc(cc1)CSc1nnc(n1CC)c1ccc2c(c1)OCCO2
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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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-2-24-19(16-7-8-17-18(11-16)26-10-9-25-17)22-23-20(24)27-13-15-5-3-14(12-21)4-6-15/h3-8,11H,2,9-10,13H2,1H3InChIKey
ATMKOUMWXWQDIX-UHFFFAOYSA-NSynonyms
4(((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)METHYL)BENZONITRILE
4((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanylmethyl)benzonitrile
CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)OCCO4
InChI=1SC20H18N4O2Sc122419(16781718(1116)261092517)222320(24)2713155314(1221)4615h3811H291013H21H3
MFCD09269791
ZINC000009096215
ZINC09096215
ZINC9096215
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