Vitas-M small molecule compound
3-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole
Catalog ID
STK744027
SMILES CCn1c(SCc2cc3OCOc3cc2Br)nnc1c1ccoc1C
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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 C17H16BrN3O3S MW 422.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN3O3S/c1-3-21-16(12-4-5-22-10(12)2)19-20-17(21)25-8-11-6-14-15(7-13(11)18)24-9-23-14/h4-7H,3,8-9H2,1-2H3InChIKey
HMBCINWLBYTWGH-UHFFFAOYSA-NSynonyms
3(((6bromo13benzodioxol5yl)methyl)sulfanyl)4ethyl5(2methylfuran3yl)4H124triazole
3((6BROMO13BENZODIOXOL5YL)METHYLSULFANYL)4ETHYL5(2METHYLFURAN3YL)124TRIAZOLE
CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=C(OC=C4)C
InChI=1SC17H16BrN3O3Sc132116(12452210(12)2)192017(21)2581161415(713(11)18)2492314h47H389H212H3
MFCD06617867
ZINC000011963505
ZINC11963505
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