Vitas-M small molecule compound
1-(butylsulfanyl)-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK326502
SMILES CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)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/c1-3-4-12-28-22-24-23-21-25(15-9-7-8-14(2)13-15)19(27)18-16-10-5-6-11-17(16)29-20(18)26(21)22/h7-9,13H,3-6,10-12H2,1-2H3InChIKey
JKHKEWJTDNBSFZ-UHFFFAOYSA-NSynonyms
1(butylsulfanyl)4(3methylphenyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC(=C5)C
InChI=1SC22H24N4OS2c13412282224232125(1597814(2)1315)19(27)181610561117(16)2920(18)26(21)22h7913H361012H212H3
MFCD03827682
ZINC000003767004
ZINC03767004
ZINC3767004
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