Vitas-M small molecule compound
2-[4-(2-fluorophenyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL041011
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)/C(=O)N1CC1CCCO1
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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 C28H28FN5O3S2 MW 565.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28FN5O3S2/c1-18-6-4-10-33-24(18)30-25(32-13-11-31(12-14-32)22-9-3-2-8-21(22)29)20(26(33)35)16-23-27(36)34(28(38)39-23)17-19-7-5-15-37-19/h2-4,6,8-10,16,19H,5,7,11-15,17H2,1H3/b23-16-InChIKey
MVKDUEMPLDPMGF-KQWNVCNZSA-NSynonyms
(5Z)5((2(4(2FLUOROPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2fluorophenyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
2(4(2fluorophenyl)piperazin1yl)9methyl3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
5((2(4(2FLUOROPHENYL)PIPERAZINYL)9METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(OXOLAN2YLMETHYL)2THIOXO13THIAZOLIDIN4ONE
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)N5CCN(CC5)C6=CC=CC=C6F
InChI=1SC28H28FN5O3S2c11864103324(18)3025(32131131(121432)22932821(22)29)20(26(33)35)162327(36)34(28(38)3923)171975153719h2468101619H57111517H21H3b2316
MFCD03663023
S=C1SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)C(=O)N1CC1CCCO1
ZINC000097947735
ZINC000097947736
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