Vitas-M small molecule compound
3-[(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]propanoic acid
Catalog ID
STK881723
SMILES CC(CNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(=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 C20H22N4O4S2 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S2/c1-11(2)10-21-16-13(18(27)23-7-4-5-12(3)17(23)22-16)9-14-19(28)24(20(29)30-14)8-6-15(25)26/h4-5,7,9,11,21H,6,8,10H2,1-3H3,(H,25,26)/b14-9-InChIKey
BMSZCJVFFUEASC-ZROIWOOFSA-NSynonyms
608497-20-7(Z)3(5((2(isobutylamino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
3((5Z)5((9methyl2((2methylpropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((9METHYL2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
608497207
CC(CNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(=O)O)C
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)NCC(C)C
InChI=1SC20H22N4O4S2c111(2)10211613(18(27)2374512(3)17(23)2216)91419(28)24(20(29)3014)8615(25)26h45791121H6810H213H3(H2526)b149
MFCD03690760
ZINC000013713663
ZINC13713663
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.