Vitas-M small molecule compound
4-(4-chlorophenyl)-7-methyl-1-(propylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK556588
SMILES CCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C
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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 C21H21ClN4OS2 MW 445.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4OS2/c1-3-10-28-21-24-23-20-25(14-7-5-13(22)6-8-14)18(27)17-15-11-12(2)4-9-16(15)29-19(17)26(20)21/h5-8,12H,3-4,9-11H2,1-2H3InChIKey
WWCGVLXDYYIAGW-UHFFFAOYSA-NSynonyms
577766-58-64(4chlorophenyl)7methyl1(propylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4(4chlorophenyl)7methyl1(propylthio)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
577766586
CCCSC1=NN=C2N1C3=C(C4=C(S3)CCC(C4)C)C(=O)N2C5=CC=C(C=C5)Cl
InChI=1SC21H21ClN4OS2c1310282124232025(147513(22)6814)18(27)17151112(2)4916(15)2919(17)26(20)21h5812H34911H212H3
MFCD04019052
ZINC000009165160
ZINC000009165165
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