Vitas-M small molecule compound
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK798449
SMILES S=C1S/C(=C\c2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3)/C(=O)N1Cc1ccc2c(c1)OCO2
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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 C27H27N5O5S2 MW 565.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5S2/c33-25-19(15-22-26(34)32(27(38)39-22)16-18-5-6-20-21(14-18)37-17-36-20)24(29-23-4-1-2-9-31(23)25)28-7-3-8-30-10-12-35-13-11-30/h1-2,4-6,9,14-15,28H,3,7-8,10-13,16-17H2/b22-15-InChIKey
IYFMWHYNBZDVLE-JCMHNJIXSA-NSynonyms
(5Z)3(13BENZODIOXOL5YLMETHYL)5((2(3MORPHOLIN4YLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((3(morpholin4yl)propyl)amino)4Hpyrido(12a)pyrimidin4one
C1COCCN1CCCNC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC5=CC6=C(C=C5)OCO6
InChI=1SC27H27N5O5S2c332519(152226(34)32(27(38)3922)1618562021(1418)37173620)24(2923412931(23)25)2873830101235131130h12469141528H37810131617H2b2215
MFCD03461980
S=C1SC(=Cc2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3)C(=O)N1Cc1ccc2c(c1)OCO2
ZINC000002668270
ZINC2668270
Check stock
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Check stock on Vitas-MAvailable files
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