Vitas-M small molecule compound

2-[(1,3-benzodioxol-5-ylmethyl)amino]-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK810008
SMILES COCCN1C(=S)S/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)/C1=O

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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 C23H20N4O5S2 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5S2/c1-30-9-8-27-22(29)18(34-23(27)33)11-15-20(25-19-4-2-3-7-26(19)21(15)28)24-12-14-5-6-16-17(10-14)32-13-31-16/h2-7,10-11,24H,8-9,12-13H2,1H3/b18-11-
InChIKey
FQMUANJHKBTOAX-WQRHYEAKSA-N
Synonyms

(5Z)5((2(13BENZODIOXOL5YLMETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2METHOXYETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2((13benzodioxol5ylmethyl)amino)3((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
5((2((2HBENZO(34D)13DIOXOLAN5YLMETHYL)AMINO)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(2METHOXYETHYL)2THIOXO13THIAZOLIDIN4ONE
COCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC4=CC5=C(C=C4)OCO5)SC1=S
COCCN1C(=S)SC(=Cc2c(NCc3ccc4c(c3)OCO4)nc3n(c2=O)cccc3)C1=O
InChI=1SC23H20N4O5S2c130982722(29)18(3423(27)33)111520(2519423726(19)21(15)28)241214561617(1014)32133116h27101124H891213H21H3b1811
MFCD03212793
ZINC000002708935
ZINC2708935

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.