Vitas-M small molecule compound
3-[(5Z)-5-{[2-(dipropylammonio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STK560509
SMILES CCC[NH+](c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(=O)[O-])CCC
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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 C21H24N4O4S2 MW 460.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S2/c1-3-9-23(10-4-2)18-14(19(28)24-11-6-5-7-16(24)22-18)13-15-20(29)25(21(30)31-15)12-8-17(26)27/h5-7,11,13H,3-4,8-10,12H2,1-2H3,(H,26,27)/b15-13-InChIKey
GNHUTMIPNUZRLH-SQFISAMPSA-NSynonyms
842977-83-73((5Z)5((2(DIPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
3((5Z)5((2(dipropylammonio)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoate
3((5Z)5((2(DIPROPYLAZANIUMYL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOATE
CCC(NH+)(c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(=O)(O))CCC
CCC(NH+)(CCC)C1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CCC(=O)(O)
InChI=1SC21H24N4O4S2c13923(1042)1814(19(28)241165716(24)2218)131520(29)25(21(30)3115)12817(26)27h571113H3481012H212H3(H2627)b1513
MFCD04013104
ZINC000002415073
ZINC02415073
ZINC2415073
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.