Vitas-M small molecule compound
ethyl [(6-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate
Catalog ID
STK530672
SMILES CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)C(C)CCC3
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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 C22H22N4O3S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S2/c1-3-29-16(27)12-30-22-24-23-21-25(14-9-5-4-6-10-14)19(28)18-17-13(2)8-7-11-15(17)31-20(18)26(21)22/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3InChIKey
HGSDQWREBIPCMZ-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4C)C(=O)N2C5=CC=CC=C5
ethyl((6methyl5oxo4phenyl456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
ethyl2((6methyl5oxo4phenyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
InChI=1SC22H22N4O3S2c132916(27)12302224232125(1495461014)19(28)181713(2)871115(17)3120(18)26(21)22h4691013H3781112H212H3
MFCD02238679
ZINC000002296540
ZINC000002296541
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