Vitas-M small molecule compound
4-[(5Z)-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK816442
SMILES OCCN1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCC(=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 C22H25N5O5S2 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O5S2/c28-13-12-24-8-10-25(11-9-24)19-15(20(31)26-6-2-1-4-17(26)23-19)14-16-21(32)27(22(33)34-16)7-3-5-18(29)30/h1-2,4,6,14,28H,3,5,7-13H2,(H,29,30)/b16-14-InChIKey
QBLBURUSRKHOTK-PEZBUJJGSA-NSynonyms
4((5Z)5((2(4(2hydroxyethyl)piperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
C1CN(CCN1CCO)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCCC(=O)O
InChI=1SC22H25N5O5S2c2813122481025(11924)1915(20(31)26621417(26)2319)141621(32)27(22(33)3416)73518(29)30h12461428H35713H2(H2930)b1614
MFCD03496082
OCCN1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CCCC(=O)O
ZINC000008872570
ZINC08872570
ZINC8872570
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