Vitas-M small molecule compound
3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(tetrahydrofuran-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK810879
SMILES COc1cc(CCN2C(=S)S/C(=C\c3c(NCC4CCCO4)nc4n(c3=O)cccc4)/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 C27H28N4O5S2 MW 552.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5S2/c1-34-20-9-8-17(14-21(20)35-2)10-12-31-26(33)22(38-27(31)37)15-19-24(28-16-18-6-5-13-36-18)29-23-7-3-4-11-30(23)25(19)32/h3-4,7-9,11,14-15,18,28H,5-6,10,12-13,16H2,1-2H3/b22-15-InChIKey
YWISJFZSNHUWMO-JCMHNJIXSA-NSynonyms
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((4OXO2(OXOLAN2YLMETHYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((tetrahydrofuran2ylmethyl)amino)4Hpyrido(12a)pyrimidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NCC5CCCO5)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3c(NCC4CCCO4)nc4n(c3=O)cccc4)C2=O)ccc1OC
InChI=1SC27H28N4O5S2c134209817(1421(20)352)10123126(33)22(3827(31)37)151924(28161865133618)29237341130(23)25(19)32h34791114151828H5610121316H212H3b2215
MFCD03933051
ZINC000100737241
ZINC000100737243
Check stock
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Check stock on Vitas-MAvailable files
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