Vitas-M small molecule compound
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-({[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Catalog ID
STK279368
SMILES CCn1c(SCc2onc(n2)c2ccc3c(c2)OCCO3)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 C23H21N5O5S MW 479.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O5S/c1-2-28-22(15-4-6-17-19(12-15)32-10-8-30-17)25-26-23(28)34-13-20-24-21(27-33-20)14-3-5-16-18(11-14)31-9-7-29-16/h3-6,11-12H,2,7-10,13H2,1H3InChIKey
NBEOHKLINIKFAM-UHFFFAOYSA-NSynonyms
3(23DIHYDRO14BENZODIOXIN6YL)5(((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)METHYL)124OXADIAZOLE
3(23dihydro14benzodioxin6yl)5((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanylmethyl)124oxadiazole
CCN1C(=NN=C1SCC2=NC(=NO2)C3=CC4=C(C=C3)OCCO4)C5=CC6=C(C=C5)OCCO6
InChI=1SC23H21N5O5Sc122822(15461719(1215)321083017)252623(28)3413202421(273320)14351618(1114)31972916h361112H271013H21H3
MFCD09269806
ZINC000009193267
ZINC09193267
ZINC9193267
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