Vitas-M small molecule compound
1-(butylsulfanyl)-4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK283414
SMILES CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1C)CCCC3
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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 C22H24N4OS2 MW 424.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4OS2/c1-3-4-13-28-22-24-23-21-25(16-11-7-5-9-14(16)2)19(27)18-15-10-6-8-12-17(15)29-20(18)26(21)22/h5,7,9,11H,3-4,6,8,10,12-13H2,1-2H3InChIKey
DCZKGKVDDZLIFG-UHFFFAOYSA-NSynonyms
1(butylsulfanyl)4(2methylphenyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(butylthio)4(otolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5C
InChI=1SC22H24N4OS2c13413282224232125(161175914(16)2)19(27)181510681217(15)2920(18)26(21)22h57911H3468101213H212H3
MFCD02995903
ZINC000002304216
ZINC02304216
ZINC2304216
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