Vitas-M small molecule compound
2-[(furan-2-ylmethyl)amino]-3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK812462
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(NCc3ccco3)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 C25H28N4O3S2 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3S2/c1-2-3-4-5-6-8-14-29-24(31)20(34-25(29)33)16-19-22(26-17-18-11-10-15-32-18)27-21-12-7-9-13-28(21)23(19)30/h7,9-13,15-16,26H,2-6,8,14,17H2,1H3/b20-16-InChIKey
QJFHYFWMPXGXCT-SILNSSARSA-NSynonyms
(5Z)5((2(FURAN2YLMETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((furan2ylmethyl)amino)3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC4=CC=CO4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(NCc3ccco3)nc3n(c2=O)cccc3)C1=O
InChI=1SC25H28N4O3S2c1234568142924(31)20(3425(29)33)161922(2617181110153218)272112791328(21)23(19)30h7913151626H2681417H21H3b2016
MFCD03933178
ZINC000100859486
ZINC100859486
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