Vitas-M small molecule compound
2-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL404004
SMILES CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1n[nH]c(c1)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 C22H18N6O2S MW 430.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O2S/c1-11-2-4-13-18(6-11)31-22-19(13)21-24-20(27-28(21)9-23-22)15-8-14(25-26-15)12-3-5-16-17(7-12)30-10-29-16/h3,5,7-9,11H,2,4,6,10H2,1H3,(H,25,26)InChIKey
UMSHOVJZUFOZIY-UHFFFAOYSA-NSynonyms
1092785-43-71092785437
2(5(13benzodioxol5yl)1Hpyrazol3yl)9methyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC(=NN5)C6=CC7=C(C=C6)OCO7
CC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1n(nH)c(c1)c1ccc2c(c1)OCO2
InChI=1SC22H18N6O2Sc111241318(611)312219(13)212420(2728(21)92322)15814(252615)12351617(712)30102916h357911H24610H21H3(H2526)
MFCD04129702
ZINC000017096916
ZINC000017096917
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