Vitas-M small molecule compound
8-ethyl-2-{4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK328951
SMILES COC(=O)C(C(C)C)NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O
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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 C21H28N6O5S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O5S/c1-5-25-11-14(18(29)30)16(28)13-10-22-20(24-17(13)25)26-6-8-27(9-7-26)21(33)23-15(12(2)3)19(31)32-4/h10-12,15H,5-9H2,1-4H3,(H,23,33)(H,29,30)InChIKey
IRXHBEXEBUHLNO-UHFFFAOYSA-NSynonyms
1031371-35-31031371353
8ETHYL2(4((1METHOXY3METHYL1OXOBUTAN2YL)CARBAMOTHIOYL)PIPERAZIN1IUM1YL)5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
8ethyl2(4((1methoxy3methyl1oxobutan2yl)carbamothioyl)piperazin1yl)5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
8ETHYL2(4((1METHOXY3METHYL1OXOBUTAN2YL)CARBAMOTHIOYL)PIPERAZIN1YL)5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
CCN1C=C(C(=O)C2=CN=C(N=C21)(NH+)3CCN(CC3)C(=S)NC(C(C)C)C(=O)OC)C(=O)(O)
InChI=1SC21H28N6O5Sc15251114(18(29)30)16(28)13102220(2417(13)25)266827(9726)21(33)2315(12(2)3)19(31)324h101215H59H214H3(H2333)(H2930)
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