Vitas-M small molecule compound
8-ethyl-2-(4-{[1-methoxy-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK328885
SMILES CSCCC(C(=O)OC)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 C21H28N6O5S2 MW 508.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O5S2/c1-4-25-12-14(18(29)30)16(28)13-11-22-20(24-17(13)25)26-6-8-27(9-7-26)21(33)23-15(5-10-34-3)19(31)32-2/h11-12,15H,4-10H2,1-3H3,(H,23,33)(H,29,30)InChIKey
BFCZGOABAXEKQV-UHFFFAOYSA-NSynonyms
1019851-88-71019851887
8ethyl2(4((1methoxy4(methylsulfanyl)1oxobutan2yl)carbamothioyl)piperazin1yl)5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
8ETHYL2(4((1METHOXY4METHYLSULFANYL1OXOBUTAN2YL)CARBAMOTHIOYL)PIPERAZIN1YL)5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(CCSC)C(=O)OC)C(=O)O
InChI=1SC21H28N6O5S2c14251214(18(29)30)16(28)13112220(2417(13)25)266827(9726)21(33)2315(510343)19(31)322h111215H410H213H3(H2333)(H2930)
MFCD05857784
ZINC000015321577
ZINC000015321580
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