Vitas-M small molecule compound
2-{4-[(1,3-benzodioxol-5-ylcarbonyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK543416
SMILES CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1ccc2c(c1)OCO2
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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 C23H22N6O6S MW 510.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O6S/c1-2-27-11-15(21(32)33)18(30)14-10-24-22(25-19(14)27)28-5-7-29(8-6-28)23(36)26-20(31)13-3-4-16-17(9-13)35-12-34-16/h3-4,9-11H,2,5-8,12H2,1H3,(H,32,33)(H,26,31,36)InChIKey
UTSDRQYRWYRLQE-UHFFFAOYSA-NSynonyms
488121-75-12(4((13benzodioxol5ylcarbonyl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4((benzo(d)(13)dioxole5carbonyl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4(13BENZODIOXOLE5CARBONYLCARBAMOTHIOYL)PIPERAZIN1YL)8ETHYL5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
488121751
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)O
InChI=1SC23H22N6O6Sc12271115(21(32)33)18(30)14102422(2519(14)27)285729(8628)23(36)2620(31)13341617(913)35123416h34911H25812H21H3(H3233)(H263136)
MFCD03191046
ZINC000002330459
ZINC2330459
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