Vitas-M small molecule compound
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(E)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK701719
SMILES OCCN1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C\1/SC(=S)N(C1=O)C(c1ccccc1)C
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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 C26H27N5O3S2 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3S2/c1-18(19-7-3-2-4-8-19)31-25(34)21(36-26(31)35)17-20-23(29-13-11-28(12-14-29)15-16-32)27-22-9-5-6-10-30(22)24(20)33/h2-10,17-18,32H,11-16H2,1H3/b21-17+InChIKey
DUIILMSOWFDLEB-HEHNFIMWSA-NSynonyms
(5E)5((2(4(2hydroxyethyl)piperazin1yl)4oxopyrido(12a)pyrimidin3yl)methylidene)3(1phenylethyl)2sulfanylidene13thiazolidin4one
(Z)5((2(4(2hydroxyethyl)piperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(1phenylethyl)2thioxothiazolidin4one
2(4(2hydroxyethyl)piperazin1yl)3((E)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(C1=CC=CC=C1)N2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)CCO)SC2=S
InChI=1SC26H27N5O3S2c118(197324819)3125(34)21(3626(31)35)172023(29131128(121429)151632)27229561030(22)24(20)33h210171832H1116H21H3b2117+
MFCD03461596
OCCN1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)C(c1ccccc1)C
ZINC000026687053
ZINC000026687057
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