Vitas-M small molecule compound
4-(4-chlorophenyl)-7-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
STK720537
SMILES CC1CCc2c(C1)c1c(=O)n(c3ccc(cc3)Cl)c3n(c1s2)c(S)nn3
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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/c1-9-2-7-13-12(8-9)14-15(24)22(11-5-3-10(19)4-6-11)17-20-21-18(25)23(17)16(14)26-13/h3-6,9H,2,7-8H2,1H3,(H,21,25)InChIKey
CHEZOGNWIQJSHO-UHFFFAOYSA-NSynonyms
841206-43-74(4chlorophenyl)1mercapto7methyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(4chlorophenyl)7methyl1sulfanyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
841206437
CC1CCC2=C(C1)C3=C(S2)N4C(=S)NN=C4N(C3=O)C5=CC=C(C=C5)Cl
InChI=1SC18H15ClN4OS2c19271312(89)1415(24)22(115310(19)4611)17202118(25)23(17)16(14)2613h369H278H21H3(H2125)
MFCD04011139
ZINC000005898323
ZINC000006129894
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