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-phenyl-1,2,4-oxadiazole
Catalog ID
STK279425
SMILES CCn1c(SCc2onc(n2)c2ccccc2)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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-2-26-20(15-8-9-16-17(12-15)28-11-10-27-16)23-24-21(26)30-13-18-22-19(25-29-18)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3InChIKey
PMUIBDBLUDQONJ-UHFFFAOYSA-NSynonyms
5(((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)METHYL)3PHENYL124OXADIAZOLE
5((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanylmethyl)3phenyl124oxadiazole
CCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5
InChI=1SC21H19N5O3Sc122620(15891617(1215)2811102716)232421(26)3013182219(252918)146435714h3912H2101113H21H3
MFCD09269863
ZINC000009193376
ZINC09193376
ZINC9193376
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