Vitas-M small molecule compound
2-(4-benzylpiperazin-1-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK793793
SMILES CC(CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)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/c1-19(2)16-33-27(35)23(37-28(33)36)15-22-25(29-24-10-9-20(3)17-32(24)26(22)34)31-13-11-30(12-14-31)18-21-7-5-4-6-8-21/h4-10,15,17,19H,11-14,16,18H2,1-3H3/b23-15-InChIKey
QOYOHTWCNCLZDG-HAHDFKILSA-NSynonyms
(5Z)5((2(4BENZYLPIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3isobutyl2thioxothiazolidin4one
2(4benzylpiperazin1yl)7methyl3((Z)(3(2methylpropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC(CN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)Cc2ccccc2)C1=O)C
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(C)C)N4CCN(CC4)CC5=CC=CC=C5)C=C1
InChI=1SC28H31N5O2S2c119(2)163327(35)23(3728(33)36)152225(292410920(3)1732(24)26(22)34)31131130(121431)18217546821h410151719H11141618H213H3b2315
MFCD02991793
ZINC000100762016
ZINC100762016
Check stock
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Check stock on Vitas-MAvailable files
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