Vitas-M small molecule compound

3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK877018
SMILES OCCN1CCN(CC1)c1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1

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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 C25H25N5O3S2 MW 507.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O3S2/c31-15-14-27-10-12-28(13-11-27)22-19(23(32)29-9-5-4-8-21(29)26-22)16-20-24(33)30(25(34)35-20)17-18-6-2-1-3-7-18/h1-9,16,31H,10-15,17H2/b20-16-
InChIKey
OCOHRLCGGJNHKZ-SILNSSARSA-N
Synonyms
374616-74-7
(5Z)3BENZYL5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3benzyl5((2(4(2hydroxyethyl)piperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(4(2hydroxyethyl)piperazin1yl)4Hpyrido(12a)pyrimidin4one
374616747
C1CN(CCN1CCO)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC5=CC=CC=C5
InChI=1SC25H25N5O3S2c31151427101228(131127)2219(23(32)29954821(29)2622)162024(33)30(25(34)3520)17186213718h191631H101517H2b2016
MFCD01960311
OCCN1CCN(CC1)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccccc1
ZINC000019939158
ZINC19939158

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Available files

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