Vitas-M small molecule compound
4-[(5Z)-5-({9-methyl-2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK707157
SMILES CC(CNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCC(=O)O)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 C21H24N4O4S2 MW 460.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S2/c1-12(2)11-22-17-14(19(28)24-8-4-6-13(3)18(24)23-17)10-15-20(29)25(21(30)31-15)9-5-7-16(26)27/h4,6,8,10,12,22H,5,7,9,11H2,1-3H3,(H,26,27)/b15-10-InChIKey
MKSSGKDJULXSCW-GDNBJRDFSA-NSynonyms
608497-21-8(Z)4(5((2(isobutylamino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5Z)5((9methyl2((2methylpropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((9METHYL2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
608497218
CC(CNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCCC(=O)O)C
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCC(=O)O)NCC(C)C
InChI=1SC21H24N4O4S2c112(2)11221714(19(28)2484613(3)18(24)2317)101520(29)25(21(30)3115)95716(26)27h468101222H57911H213H3(H2627)b1510
MFCD03692047
ZINC000002253721
ZINC2253721
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.