Vitas-M small molecule compound
2-[4-(2-fluorophenyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL054881
SMILES CC(CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2F)/C1=O)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 C28H30FN5O2S2 MW 551.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN5O2S2/c1-18(2)10-11-33-27(36)23(38-28(33)37)16-20-25(30-24-9-8-19(3)17-34(24)26(20)35)32-14-12-31(13-15-32)22-7-5-4-6-21(22)29/h4-9,16-18H,10-15H2,1-3H3/b23-16-InChIKey
ANBDOEJXKUCZGK-KQWNVCNZSA-NSynonyms
(5Z)5((2(4(2FLUOROPHENYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3METHYLBUTYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2fluorophenyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3isopentyl2thioxothiazolidin4one
2(4(2fluorophenyl)piperazin1yl)7methyl3((Z)(3(3methylbutyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
5((2(4(2FLUOROPHENYL)PIPERAZINYL)7METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(3METHYLBUTYL)2THIOXO13THIAZOLIDIN4ONE
CC(CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2F)C1=O)C
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(C)C)N4CCN(CC4)C5=CC=CC=C5F)C=C1
InChI=1SC28H30FN5O2S2c118(2)10113327(36)23(3828(33)37)162025(30249819(3)1734(24)26(20)35)32141231(131532)22754621(22)29h491618H1015H213H3b2316
MFCD03667924
ZINC000097947740
ZINC97947740
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