Vitas-M small molecule compound

3-[(5Z)-5-{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid

Catalog ID
STK812988
SMILES CCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(=O)O

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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/c1-3-24-9-11-25(12-10-24)19-15(20(30)26-7-4-5-14(2)18(26)23-19)13-16-21(31)27(22(32)33-16)8-6-17(28)29/h4-5,7,13H,3,6,8-12H2,1-2H3,(H,28,29)/b16-13-
InChIKey
LGUFMPQNTXHJKA-SSZFMOIBSA-N
Synonyms
505079-09-4
3((5Z)5((2(4ethylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(4ETHYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
3(5((2(4ETHYLPIPERAZIN1YL)9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN3YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)PROPANOICACID
505079094
CCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(=O)O
CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)CCC(=O)O
InChI=1SC22H25N5O4S2c132491125(121024)1915(20(30)2674514(2)18(26)2319)131621(31)27(22(32)3316)8617(28)29h45713H36812H212H3(H2829)b1613
MFCD03724113
ZINC000013427265
ZINC13427265

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Available files

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