Vitas-M small molecule compound

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

Catalog ID
STK706957
SMILES CCC(N1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O)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 C24H24N4O3S2 MW 480.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S2/c1-3-15(2)28-23(31)19(33-24(28)32)13-17-21(25-14-18(29)16-9-5-4-6-10-16)26-20-11-7-8-12-27(20)22(17)30/h4-13,15,18,25,29H,3,14H2,1-2H3/b19-13-
InChIKey
OHTUEZHHJSLYBA-UYRXBGFRSA-N
Synonyms
843630-87-5
(5Z)3BUTAN2YL5((2((2HYDROXY2PHENYLETHYL)AMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(secbutyl)5((2((2hydroxy2phenylethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((2hydroxy2phenylethyl)amino)4Hpyrido(12a)pyrimidin4one
843630875
CCC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC(C4=CC=CC=C4)O)SC1=S
CCC(N1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)C1=O)C
InChI=1SC24H24N4O3S2c1315(2)2823(31)19(3324(28)32)131721(251418(29)1695461016)262011781227(20)22(17)30h41315182529H314H212H3b1913
MFCD04015866
ZINC000008772088
ZINC000008772097

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Available files

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