Vitas-M small molecule compound

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

Catalog ID
STK876655
SMILES OCCOCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C

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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 C24H24N4O4S2 MW 496.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O4S2/c1-16(17-7-3-2-4-8-17)28-23(31)19(34-24(28)33)15-18-21(25-10-13-32-14-12-29)26-20-9-5-6-11-27(20)22(18)30/h2-9,11,15-16,25,29H,10,12-14H2,1H3/b19-15-
InChIKey
UJZNFWZNNDMHAA-CYVLTUHYSA-N
Synonyms
488101-96-8
(5Z)5((2(2(2HYDROXYETHOXY)ETHYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((2(2hydroxyethoxy)ethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(1phenylethyl)2thioxothiazolidin4one
2((2(2hydroxyethoxy)ethyl)amino)3((Z)(4oxo3(1phenylethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
488101968
CC(C1=CC=CC=C1)N2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)NCCOCCO)SC2=S
InChI=1SC24H24N4O4S2c116(177324817)2823(31)19(3424(28)33)151821(25101332141229)26209561127(20)22(18)30h291115162529H101214H21H3b1915
MFCD03288623
OCCOCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)C(c1ccccc1)C
ZINC000008858056
ZINC000008858057

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Available files

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