Vitas-M small molecule compound
2-(4-benzylpiperazin-1-yl)-3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK793791
SMILES CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)Cc2ccccc2)/C1=O
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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 C28H31N5O2S2 MW 533.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O2S2/c1-3-4-12-32-27(35)23(37-28(32)36)17-22-25(29-24-11-10-20(2)18-33(24)26(22)34)31-15-13-30(14-16-31)19-21-8-6-5-7-9-21/h5-11,17-18H,3-4,12-16,19H2,1-2H3/b23-17-InChIKey
YTHDUECUZWUAGI-QJOMJCCJSA-NSynonyms
(5Z)5((2(4BENZYLPIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BUTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3butyl2thioxothiazolidin4one
2(4benzylpiperazin1yl)3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
CCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCN(CC4)CC5=CC=CC=C5)SC1=S
CCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)Cc2ccccc2)C1=O
InChI=1SC28H31N5O2S2c134123227(35)23(3728(32)36)172225(2924111020(2)1833(24)26(22)34)31151330(141631)19218657921h5111718H34121619H212H3b2317
MFCD02986144
ZINC000100755928
ZINC100755928
Check stock
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Check stock on Vitas-MAvailable files
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