Vitas-M small molecule compound
benzyl {[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl}acetate
Catalog ID
STL333929
SMILES N#Cc1ccc(nc1SCC(=O)OCc1ccccc1)c1ccc2c(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 C22H16N2O4S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O4S/c23-11-17-6-8-18(16-7-9-19-20(10-16)28-14-27-19)24-22(17)29-13-21(25)26-12-15-4-2-1-3-5-15/h1-10H,12-14H2InChIKey
ZXQWLUQGDWFWQT-UHFFFAOYSA-NSynonyms
445380-93-8(6BENZO(13)DIOXOL5YL3CYANOPYRIDIN2YLSULFANYL)ACETICACIDBENZYLESTER
445380938
benzyl((6(13benzodioxol5yl)3cyanopyridin2yl)sulfanyl)acetate
benzyl2((6(benzo(d)(13)dioxol5yl)3cyanopyridin2yl)thio)acetate
BENZYL2(6(13BENZODIOXOL5YL)3CYANOPYRIDIN2YL)SULFANYLACETATE
C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)OCC4=CC=CC=C4
InChI=1SC22H16N2O4Sc2311176818(16791920(1016)28142719)2422(17)291321(25)2612154213515h110H1214H2
MFCD03234468
ZINC000000662209
ZINC00662209
ZINC662209
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