Vitas-M small molecule compound
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK794062
SMILES OCCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)C)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 C27H29N5O3S2 MW 535.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3S2/c1-18-3-6-20(7-4-18)17-32-26(35)22(37-27(32)36)15-21-24(30-11-9-29(10-12-30)13-14-33)28-23-8-5-19(2)16-31(23)25(21)34/h3-8,15-16,33H,9-14,17H2,1-2H3/b22-15-InChIKey
SMIFQCWNQLCWRA-JCMHNJIXSA-NSynonyms
497241-14-2(5Z)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2hydroxyethyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(4methylbenzyl)2thioxothiazolidin4one
2(4(2hydroxyethyl)piperazin1yl)7methyl3((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
497241142
5((2(4(2HYDROXYETHYL)PIPERAZINYL)7METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3((4METHYLPHENYL)METHYL)2THIOXO13THIAZOLIDIN4ONE
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N=C4C=CC(=CN4C3=O)C)N5CCN(CC5)CCO)SC2=S
InChI=1SC27H29N5O3S2c1183620(7418)173226(35)22(3727(32)36)152124(3011929(101230)131433)28238519(2)1631(23)25(21)34h38151633H91417H212H3b2215
MFCD03300047
OCCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C)C
ZINC000002334568
ZINC2334568
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