Vitas-M small molecule compound
ethyl {[4-(4-methoxyphenyl)-5-oxo-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
STK699015
SMILES CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)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 C22H22N4O4S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S2/c1-3-30-17(27)12-31-22-24-23-21-25(13-8-10-14(29-2)11-9-13)19(28)18-15-6-4-5-7-16(15)32-20(18)26(21)22/h8-11H,3-7,12H2,1-2H3InChIKey
NCHAAPKTHKMCAI-UHFFFAOYSA-NSynonyms
372083-16-4372083164
CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC
ethyl((4(4methoxyphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
ethyl2((4(4methoxyphenyl)5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
InChI=1SC22H22N4O4S2c133017(27)12312224232125(1381014(292)11913)19(28)1815645716(15)3220(18)26(21)22h811H3712H212H3
MFCD01876184
ZINC000000985026
ZINC00985026
ZINC985026
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