Vitas-M small molecule compound
3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK797248
SMILES COc1cc(CCN2C(=S)S/C(=C\c3c(nc4n(c3=O)cccc4)N3CCCCC3)/C2=O)ccc1OC
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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 C27H28N4O4S2 MW 536.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S2/c1-34-20-10-9-18(16-21(20)35-2)11-15-31-26(33)22(37-27(31)36)17-19-24(29-12-5-3-6-13-29)28-23-8-4-7-14-30(23)25(19)32/h4,7-10,14,16-17H,3,5-6,11-13,15H2,1-2H3/b22-17-InChIKey
MEWIHXZEEPSLCL-XLNRJJMWSA-NSynonyms
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((4OXO2PIPERIDIN1YLPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2(piperidin1yl)4Hpyrido(12a)pyrimidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCCCC5)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3c(nc4n(c3=O)cccc4)N3CCCCC3)C2=O)ccc1OC
InChI=1SC27H28N4O4S2c1342010918(1621(20)352)11153126(33)22(3727(31)36)171924(29125361329)28238471430(23)25(19)32h4710141617H356111315H212H3b2217
MFCD03225913
ZINC000100737229
ZINC100737229
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