Vitas-M small molecule compound
ethyl 4-(4-oxo-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
Catalog ID
STL363492
SMILES CCOC(=O)N1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(C)C
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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 C22H25N5O4S2 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4S2/c1-4-31-21(30)25-11-9-24(10-12-25)18-15(19(28)26-8-6-5-7-17(26)23-18)13-16-20(29)27(14(2)3)22(32)33-16/h5-8,13-14H,4,9-12H2,1-3H3/b16-13-InChIKey
WJLQLFDMGDBDJN-SSZFMOIBSA-NSynonyms
607692-73-9(Z)ethyl4(3((3isopropyl4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
607692739
CCOC(=O)N1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)C(C)C
CCOC(=O)N1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)C(C)C
ETHYL4(3((3(METHYLETHYL)4OXO2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)4OXO5HYDROPYRIDINO(12A)PYRIMIDIN2YL)PIPERAZINECARBOXYLATE
ethyl4(4oxo3((Z)(4oxo3(propan2yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin2yl)piperazine1carboxylate
ETHYL4(4OXO3((Z)(4OXO3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDO(12A)PYRIMIDIN2YL)PIPERAZINE1CARBOXYLATE
InChI=1SC22H25N5O4S2c143121(30)2511924(101225)1815(19(28)26865717(26)2318)131620(29)27(14(2)3)22(32)3316h581314H4912H213H3b1613
MFCD03665430
ZINC000009374816
ZINC9374816
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