Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-yloxy)methyl]-5-[(1,2-oxazol-3-ylmethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK666440
SMILES c1ccc(cc1)n1c(nnc1SCc1nocc1)COc1ccc2c(c1)OCO2
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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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-2-4-15(5-3-1)24-19(21-22-20(24)29-12-14-8-9-28-23-14)11-25-16-6-7-17-18(10-16)27-13-26-17/h1-10H,11-13H2InChIKey
PPKQRNJNBHBVTD-UHFFFAOYSA-NSynonyms
3((13benzodioxol5yloxy)methyl)5((12oxazol3ylmethyl)sulfanyl)4phenyl4H124triazole
3((5(13benzodioxol5yloxymethyl)4phenyl124triazol3yl)sulfanylmethyl)12oxazole
C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC5=NOC=C5
InChI=1SC20H16N4O4Sc12415(531)2419(212220(24)29121489282314)112516671718(1016)27132617h110H1113H2
MFCD09064017
ZINC000012377113
ZINC12377113
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