Vitas-M small molecule compound
2-(4-benzylpiperazin-1-yl)-3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK794127
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)/C(=O)N1C1CCCC1
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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 C28H29N5O2S2 MW 531.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O2S2/c34-26-22(18-23-27(35)33(28(36)37-23)21-10-4-5-11-21)25(29-24-12-6-7-13-32(24)26)31-16-14-30(15-17-31)19-20-8-2-1-3-9-20/h1-3,6-9,12-13,18,21H,4-5,10-11,14-17,19H2/b23-18-InChIKey
SEPBDHIEPNNESO-NKFKGCMQSA-NSynonyms
487032-08-6(5Z)5((2(4BENZYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3CYCLOPENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3cyclopentyl2thioxothiazolidin4one
2(4benzylpiperazin1yl)3((Z)(3cyclopentyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
487032086
C1CCC(C1)N2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)CC6=CC=CC=C6)SC2=S
InChI=1SC28H29N5O2S2c342622(182327(35)33(28(36)3723)2110451121)25(292412671332(24)26)31161430(151731)19208213920h136912131821H451011141719H2b2318
MFCD03286978
S=C1SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)C(=O)N1C1CCCC1
ZINC000100830010
ZINC100830010
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