Vitas-M small molecule compound
methyl ({5-[(1-methyl-2,4-dioxo-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
Catalog ID
STK656140
SMILES COC(=O)CSc1nnc(o1)Cn1c(=O)c2c3CCCc3sc2n(c1=O)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 C16H16N4O5S2 MW 408.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O5S2/c1-19-14-12(8-4-3-5-9(8)27-14)13(22)20(16(19)23)6-10-17-18-15(25-10)26-7-11(21)24-2/h3-7H2,1-2H3InChIKey
PJEGBKXRUKVKDH-UHFFFAOYSA-NSynonyms
1144480-07-81144480078
CN1C2=C(C3=C(S2)CCC3)C(=O)N(C1=O)CC4=NN=C(O4)SCC(=O)OC
InChI=1SC16H16N4O5S2c1191412(84359(8)2714)13(22)20(16(19)23)610171815(2510)26711(21)242h37H212H3
methyl((5((1methyl24dioxo1567tetrahydro2Hcyclopenta(45)thieno(23d)pyrimidin3(4H)yl)methyl)134oxadiazol2yl)sulfanyl)acetate
methyl2((5((1methyl24dioxo67dihydro1Hcyclopenta(45)thieno(23d)pyrimidin3(2H4H5H)yl)methyl)134oxadiazol2yl)thio)acetate
methyl2((5((4methyl13dioxo78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin2yl)methyl)134oxadiazol2yl)sulfanyl)acetate
MFCD12213878
ZINC000032092209
ZINC32092209
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