Vitas-M small molecule compound
4-(4-chlorophenyl)-8-methyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK685254
SMILES CC1CCc2c(C1)sc1c2c(=O)n(c2n1c(S)nn2)c1ccc(cc1)Cl
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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 C18H15ClN4OS2 MW 402.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4OS2/c1-9-2-7-12-13(8-9)26-16-14(12)15(24)22(11-5-3-10(19)4-6-11)17-20-21-18(25)23(16)17/h3-6,9H,2,7-8H2,1H3,(H,21,25)InChIKey
KSIFIYGGIMWOFW-UHFFFAOYSA-NSynonyms
4(4chlorophenyl)8methyl1sulfanyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NNC(=S)N34)C5=CC=C(C=C5)Cl
InChI=1SC18H15ClN4OS2c19271213(89)261614(12)15(24)22(115310(19)4611)17202118(25)23(16)17h369H278H21H3(H2125)
MFCD05858045
ZINC000006007679
ZINC000006008077
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