Vitas-M small molecule compound
2-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL401277
SMILES C1Cc2c(C1)c1c(s2)ncn2c1nc(n2)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 C20H14N6O2S MW 402.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N6O2S/c1-2-11-16(3-1)29-20-17(11)19-22-18(25-26(19)8-21-20)13-7-12(23-24-13)10-4-5-14-15(6-10)28-9-27-14/h4-8H,1-3,9H2,(H,23,24)InChIKey
QAGLGHFBAMCOQZ-UHFFFAOYSA-NSynonyms
1038990-20-31038990203
2(5(13benzodioxol5yl)1Hpyrazol3yl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(15c)pyrimidine
C1CC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC(=NN5)C6=CC7=C(C=C6)OCO7
C1Cc2c(C1)c1c(s2)ncn2c1nc(n2)c1n(nH)c(c1)c1ccc2c(c1)OCO2
InChI=1SC20H14N6O2Sc121116(31)292017(11)192218(2526(19)82120)13712(232413)10451415(610)2892714h48H139H2(H2324)
MFCD04051053
ZINC000017082366
ZINC17082366
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