Vitas-M small molecule compound
3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(furan-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK812459
SMILES S=C1S/C(=C\c2c(NCc3ccco3)nc3n(c2=O)cccc3)/C(=O)N1C1CCCC1
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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 C22H20N4O3S2 MW 452.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S2/c27-20-16(12-17-21(28)26(22(30)31-17)14-6-1-2-7-14)19(23-13-15-8-5-11-29-15)24-18-9-3-4-10-25(18)20/h3-5,8-12,14,23H,1-2,6-7,13H2/b17-12-InChIKey
VKECBDAQCCBXAG-ATVHPVEESA-NSynonyms
(5Z)3CYCLOPENTYL5((2(FURAN2YLMETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3cyclopentyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((furan2ylmethyl)amino)4Hpyrido(12a)pyrimidin4one
C1CCC(C1)N2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NCC5=CC=CO5)SC2=S
InChI=1SC22H20N4O3S2c272016(121721(28)26(22(30)3117)14612714)19(23131585112915)24189341025(18)20h358121423H126713H2b1712
MFCD03933176
S=C1SC(=Cc2c(NCc3ccco3)nc3n(c2=O)cccc3)C(=O)N1C1CCCC1
ZINC000002520585
ZINC2520585
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