Vitas-M small molecule compound
4-benzyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STL324666
SMILES CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)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 C22H22N4OS2 MW 422.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4OS2/c1-14(2)13-28-22-24-23-21-25(12-15-8-4-3-5-9-15)19(27)18-16-10-6-7-11-17(16)29-20(18)26(21)22/h3-5,8-9H,1,6-7,10-13H2,2H3InChIKey
JSQYYBVKTVIFGO-UHFFFAOYSA-NSynonyms
371782-50-2371782502
4benzyl1((2methylallyl)thio)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4benzyl1((2methylprop2en1yl)sulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CC=C5
InChI=1SC22H22N4OS2c114(2)13282224232125(12158435915)19(27)181610671117(16)2920(18)26(21)22h3589H1671013H22H3
MFCD01559047
ZINC000002254659
ZINC02254659
ZINC2254659
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