Vitas-M small molecule compound
3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK799606
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(NCCO)nc3n(c2=O)cccc3C)/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 C22H28N4O3S2 MW 460.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3S2/c1-3-4-5-6-7-11-26-21(29)17(31-22(26)30)14-16-18(23-10-13-27)24-19-15(2)9-8-12-25(19)20(16)28/h8-9,12,14,23,27H,3-7,10-11,13H2,1-2H3/b17-14-InChIKey
YNJOATHBFXMTKG-VKAVYKQESA-NSynonyms
(5Z)3HEPTYL5((2(2HYDROXYETHYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((2hydroxyethyl)amino)9methyl4Hpyrido(12a)pyrimidin4one
CCCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCCO)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(NCCO)nc3n(c2=O)cccc3C)C1=O
InChI=1SC22H28N4O3S2c134567112621(29)17(3122(26)30)141618(23101327)241915(2)981225(19)20(16)28h8912142327H37101113H212H3b1714
MFCD04446949
ZINC000095927184
ZINC95927184
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