Vitas-M small molecule compound

3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(pentylamino)-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK816973
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(NCCCCC)nc3n(c2=O)cccc3)/C1=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 C25H34N4O2S2 MW 486.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N4O2S2/c1-3-5-7-8-9-12-17-29-24(31)20(33-25(29)32)18-19-22(26-15-11-6-4-2)27-21-14-10-13-16-28(21)23(19)30/h10,13-14,16,18,26H,3-9,11-12,15,17H2,1-2H3/b20-18-
InChIKey
GDTBHXSZIPJVCQ-ZZEZOPTASA-N
Synonyms

(5Z)3OCTYL5((4OXO2(PENTYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(pentylamino)4Hpyrido(12a)pyrimidin4one
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCCCCC)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(NCCCCC)nc3n(c2=O)cccc3)C1=O
InChI=1SC25H34N4O2S2c13578912172924(31)20(3325(29)32)181922(261511642)27211410131628(21)23(19)30h101314161826H3911121517H212H3b2018
MFCD04500333
ZINC000097946589
ZINC97946589

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Available files

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