Vitas-M small molecule compound
ethyl {[4-(4-methylphenyl)-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
STK722159
SMILES CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)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 C22H22N4O3S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S2/c1-3-29-17(27)12-30-22-24-23-21-25(14-10-8-13(2)9-11-14)19(28)18-15-6-4-5-7-16(15)31-20(18)26(21)22/h8-11H,3-7,12H2,1-2H3InChIKey
ZBMYKEYMOQEQRA-UHFFFAOYSA-NSynonyms
371954-93-7371954937
CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)C
ethyl((4(4methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
ethyl2((5oxo4(ptolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
InChI=1SC22H22N4O3S2c132917(27)12302224232125(1410813(2)91114)19(28)1815645716(15)3120(18)26(21)22h811H3712H212H3
MFCD01875164
ZINC000002270812
ZINC02270812
ZINC2270812
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