Vitas-M small molecule compound
2-[(4-methoxybenzyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK815971
SMILES CCCCCN1C(=S)S/C(=C\c2c(NCc3ccc(cc3)OC)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 C25H26N4O3S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S2/c1-3-4-6-14-29-24(31)20(34-25(29)33)15-19-22(26-16-17-9-11-18(32-2)12-10-17)27-21-8-5-7-13-28(21)23(19)30/h5,7-13,15,26H,3-4,6,14,16H2,1-2H3/b20-15-InChIKey
QCBFKVSZXSOKBH-HKWRFOASSA-NSynonyms
(5Z)5((2((4METHOXYPHENYL)METHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
2((4methoxybenzyl)amino)3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC4=CC=C(C=C4)OC)SC1=S
CCCCCN1C(=S)SC(=Cc2c(NCc3ccc(cc3)OC)nc3n(c2=O)cccc3)C1=O
InChI=1SC25H26N4O3S2c1346142924(31)20(3425(29)33)151922(26161791118(322)121017)27218571328(21)23(19)30h57131526H3461416H212H3b2015
MFCD03212729
ZINC000016732959
ZINC16732959
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