Vitas-M small molecule compound
5-({[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
Catalog ID
STK279357
SMILES CCn1c(SCc2onc(n2)c2ccc(cc2)C)nnc1c1ccc2c(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 C22H21N5O3S MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S/c1-3-27-21(16-8-9-17-18(12-16)29-11-10-28-17)24-25-22(27)31-13-19-23-20(26-30-19)15-6-4-14(2)5-7-15/h4-9,12H,3,10-11,13H2,1-2H3InChIKey
HMNXYMWNJSBZNU-UHFFFAOYSA-NSynonyms
5(((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)METHYL)3(4METHYLPHENYL)124OXADIAZOLE
5((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanylmethyl)3(4methylphenyl)124oxadiazole
CCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)C)C4=CC5=C(C=C4)OCCO5
InChI=1SC22H21N5O3Sc132721(16891718(1216)2911102817)242522(27)3113192320(263019)156414(2)5715h4912H3101113H212H3
MFCD09269795
ZINC000009193256
ZINC09193256
ZINC9193256
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