Vitas-M small molecule compound

4-[(5Z)-5-({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
STK881258
SMILES CC(CNc1nc2ccccn2c(=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 C20H22N4O4S2 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S2/c1-12(2)11-21-17-13(18(27)23-8-4-3-6-15(23)22-17)10-14-19(28)24(20(29)30-14)9-5-7-16(25)26/h3-4,6,8,10,12,21H,5,7,9,11H2,1-2H3,(H,25,26)/b14-10-
InChIKey
KQJAKLOOZXBLLW-UVTDQMKNSA-N
Synonyms
608496-77-1
(Z)4(5((2(isobutylamino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5Z)5((2((2methylpropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((2(2METHYLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4(5((2((2METHYLPROPYL)AMINO)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
608496771
CC(C)CNC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CCCC(=O)O
CC(CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CCCC(=O)O)C
InChI=1SC20H22N4O4S2c112(2)11211713(18(27)23843615(23)2217)101419(28)24(20(29)3014)95716(25)26h3468101221H57911H212H3(H2526)b1410
MFCD03695234
ZINC000002258019
ZINC2258019

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Available files

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