Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}ethanone
Catalog ID
STK311798
SMILES CCn1nc(c(c1)c1ccnc(n1)SCC(=O)c1ccc2c(c1)OCCO2)C
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-3-24-11-15(13(2)23-24)16-6-7-21-20(22-16)28-12-17(25)14-4-5-18-19(10-14)27-9-8-26-18/h4-7,10-11H,3,8-9,12H2,1-2H3InChIKey
GHLPMJSVKZCTFF-UHFFFAOYSA-NSynonyms
1005672-75-21(23dihydro14benzodioxin6yl)2((4(1ethyl3methyl1Hpyrazol4yl)pyrimidin2yl)sulfanyl)ethanone
1(23dihydro14benzodioxin6yl)2(4(1ethyl3methylpyrazol4yl)pyrimidin2yl)sulfanylethanone
1005672752
CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)C3=CC4=C(C=C3)OCCO4
InChI=1SC20H20N4O3Sc13241115(13(2)2324)16672120(2216)281217(25)14451819(1014)27982618h471011H38912H212H3
MFCD04140066
ZINC000006636896
ZINC06636896
ZINC6636896
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