Vitas-M small molecule compound
3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(furan-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK812463
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 C27H24N4O5S2 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O5S2/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/h3-9,11,13-15,28H,10,12,16H2,1-2H3/b22-15-InChIKey
NQKVQCQCJGUTCG-JCMHNJIXSA-NSynonyms
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((2(FURAN2YLMETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((furan2ylmethyl)amino)4Hpyrido(12a)pyrimidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NCC5=CC=CO5)SC2=S)OC
InChI=1SC27H24N4O5S2c134209817(1421(20)352)10123126(33)22(3827(31)37)151924(28161865133618)29237341130(23)25(19)32h3911131528H101216H212H3b2215
MFCD03933179
ZINC000100837211
ZINC100837211
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