Vitas-M small molecule compound
2-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-9-ethyl-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL401087
SMILES CCc1c(C)sc2c1c1nc(nn1cn2)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 C20H16N6O2S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O2S/c1-3-12-10(2)29-20-17(12)19-22-18(25-26(19)8-21-20)14-7-13(23-24-14)11-4-5-15-16(6-11)28-9-27-15/h4-8H,3,9H2,1-2H3,(H,23,24)InChIKey
CJXSTMHQWTUGAX-UHFFFAOYSA-NSynonyms
1092841-34-31092841343
2(5(13benzodioxol5yl)1Hpyrazol3yl)9ethyl8methylthieno(32e)(124)triazolo(15c)pyrimidine
CCC1=C(SC2=C1C3=NC(=NN3C=N2)C4=CC(=NN4)C5=CC6=C(C=C5)OCO6)C
CCc1c(C)sc2c1c1nc(nn1cn2)c1n(nH)c(c1)c1ccc2c(c1)OCO2
InChI=1SC20H16N6O2Sc131210(2)292017(12)192218(2526(19)82120)14713(232414)11451516(611)2892715h48H39H212H3(H2324)
MFCD04056281
ZINC000006412690
ZINC06412690
ZINC6412690
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