Vitas-M small molecule compound
ethyl [(4-benzyl-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate
Catalog ID
STL324668
SMILES CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)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 C21H20N4O3S2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S2/c1-2-28-16(26)12-29-21-23-22-20-24(11-13-7-4-3-5-8-13)18(27)17-14-9-6-10-15(14)30-19(17)25(20)21/h3-5,7-8H,2,6,9-12H2,1H3InChIKey
UWPJQVRTDRLBOQ-UHFFFAOYSA-NSynonyms
371924-63-9371924639
CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2CC5=CC=CC=C5
ethyl((4benzyl5oxo4578tetrahydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
ethyl2((4benzyl5oxo5678tetrahydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
InChI=1SC21H20N4O3S2c122816(26)12292123222024(11137435813)18(27)1714961015(14)3019(17)25(20)21h3578H26912H21H3
MFCD01559110
ZINC000002254689
ZINC02254689
ZINC2254689
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