Vitas-M small molecule compound
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(4-methoxyphenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK794003
SMILES CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)OC)/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 C27H29N5O3S2 MW 535.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3S2/c1-4-18(2)32-26(34)22(37-27(32)36)17-21-24(28-23-7-5-6-12-31(23)25(21)33)30-15-13-29(14-16-30)19-8-10-20(35-3)11-9-19/h5-12,17-18H,4,13-16H2,1-3H3/b22-17-InChIKey
IBODOQVJHLXDFF-XLNRJJMWSA-NSynonyms
496797-77-4(5Z)3BUTAN2YL5((2(4(4METHOXYPHENYL)PIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(secbutyl)5((2(4(4methoxyphenyl)piperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(4methoxyphenyl)piperazin1yl)4Hpyrido(12a)pyrimidin4one
496797774
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C5=CC=C(C=C5)OC)SC1=S
CCC(N1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccc(cc2)OC)C1=O)C
InChI=1SC27H29N5O3S2c1418(2)3226(34)22(3727(32)36)172124(28237561231(23)25(21)33)30151329(141630)1981020(353)11919h5121718H41316H213H3b2217
MFCD03298967
ZINC000100763402
ZINC000100763405
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.