Vitas-M small molecule compound
2-{4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STL149589
SMILES CCn1cc(C(=O)[O-])c(=O)c2c1nc(nc2)[NH+]1CCN(CC1)C(=S)Nc1ccc(cc1)Cl
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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 C21H21ClN6O3S MW 472.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)InChIKey
NMACYVKZIUOPJV-UHFFFAOYSA-NSynonyms
695209-49-52(4((4chlorophenyl)carbamothioyl)piperazin1ium1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylate
695209495
CCn1cc(C(=O)(O))c(=O)c2c1nc(nc2)(NH+)1CCN(CC1)C(=S)Nc1ccc(cc1)Cl
MFCD03855891
ZINC000002429273
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