Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]ethanone
Catalog ID
STL348748
SMILES O=C(c1ccc2c(c1)OCO2)CSc1ncnc2c1cnn2Cc1ccccc1
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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 C21H16N4O3S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O3S/c26-17(15-6-7-18-19(8-15)28-13-27-18)11-29-21-16-9-24-25(20(16)22-12-23-21)10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2InChIKey
RCCWHRMXQWJQLA-UHFFFAOYSA-NSynonyms
850718-67-11(13benzodioxol5yl)2((1benzyl1Hpyrazolo(34d)pyrimidin4yl)sulfanyl)ethanone
1(13BENZODIOXOL5YL)2(1BENZYLPYRAZOLO(34D)PYRIMIDIN4YL)SULFANYLETHANONE
1(benzo(d)(13)dioxol5yl)2((1benzyl1Hpyrazolo(34d)pyrimidin4yl)thio)ethanone
850718671
C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC=NC4=C3C=NN4CC5=CC=CC=C5
InChI=1SC21H16N4O3Sc2617(15671819(815)28132718)1129211692425(20(16)22122321)10144213514h1912H101113H2
MFCD05692304
ZINC000002390351
ZINC02390351
ZINC2390351
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