Vitas-M small molecule compound

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

Catalog ID
STK876633
SMILES OCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(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 C22H18N4O5S2 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5S2/c27-8-6-23-19-14(20(28)25-7-2-1-3-18(25)24-19)10-17-21(29)26(22(32)33-17)11-13-4-5-15-16(9-13)31-12-30-15/h1-5,7,9-10,23,27H,6,8,11-12H2/b17-10-
InChIKey
BZCOTERONJMWMG-YVLHZVERSA-N
Synonyms
1019776-33-0
(5Z)3(13BENZODIOXOL5YLMETHYL)5((2(2HYDROXYETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(benzo(d)(13)dioxol5ylmethyl)5((2((2hydroxyethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
1019776330
3((Z)(3(13benzodioxol5ylmethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((2hydroxyethyl)amino)4Hpyrido(12a)pyrimidin4one
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C(=CC4=C(N=C5C=CC=CN5C4=O)NCCO)SC3=S
InChI=1SC22H18N4O5S2c2786231914(20(28)25721318(25)2419)101721(29)26(22(32)3317)1113451516(913)31123015h1579102327H681112H2b1710
MFCD03143249
OCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2
ZINC000002273073
ZINC2273073

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Available files

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