Vitas-M small molecule compound
2-(4-benzylpiperazin-1-yl)-3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK982908
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)/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 C28H31N5O2S2 MW 533.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O2S2/c1-4-20(3)33-27(35)23(37-28(33)36)17-22-25(29-24-19(2)9-8-12-32(24)26(22)34)31-15-13-30(14-16-31)18-21-10-6-5-7-11-21/h5-12,17,20H,4,13-16,18H2,1-3H3/b23-17-InChIKey
MHGNPHYTXKDBQN-QJOMJCCJSA-NSynonyms
442868-40-8(5Z)5((2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3BUTAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(secbutyl)2thioxothiazolidin4one
2(4benzylpiperazin1yl)3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
442868408
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CC5=CC=CC=C5)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)C1=O)C
InChI=1SC28H31N5O2S2c1420(3)3327(35)23(3728(33)36)172225(292419(2)981232(24)26(22)34)31151330(141631)1821106571121h5121720H4131618H213H3b2317
MFCD03300590
ZINC000100763492
ZINC000100763502
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.