Vitas-M small molecule compound
3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK794064
SMILES OCCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)F)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 C26H26FN5O3S2 MW 539.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26FN5O3S2/c1-17-2-7-22-28-23(30-10-8-29(9-11-30)12-13-33)20(24(34)31(22)15-17)14-21-25(35)32(26(36)37-21)16-18-3-5-19(27)6-4-18/h2-7,14-15,33H,8-13,16H2,1H3/b21-14-InChIKey
CVNAQUZDCOUGAQ-STZFKDTASA-NSynonyms
497244-51-6(5Z)3((4FLUOROPHENYL)METHYL)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(4fluorobenzyl)5((2(4(2hydroxyethyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((4FLUOROPHENYL)METHYL)5((2(4(2HYDROXYETHYL)PIPERAZINYL)7METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)2THIOXO13THIAZOLIDIN4ONE
3((Z)(3(4fluorobenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(2hydroxyethyl)piperazin1yl)7methyl4Hpyrido(12a)pyrimidin4one
497244516
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F)N5CCN(CC5)CCO)C=C1
InChI=1SC26H26FN5O3S2c11727222823(3010829(91130)121333)20(24(34)31(22)1517)142125(35)32(26(36)3721)16183519(27)6418h27141533H81316H21H3b2114
MFCD03300350
OCCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)F)C
ZINC000100861777
ZINC100861777
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