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]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK905622
SMILES CCC(N1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)/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 C25H26N4O3S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S2/c1-4-16(3)29-24(32)20(34-25(29)33)13-18-21(26-14-19(30)17-10-6-5-7-11-17)27-22-15(2)9-8-12-28(22)23(18)31/h5-13,16,19,26,30H,4,14H2,1-3H3/b20-13-
InChIKey
HJDIOPIPAGEURW-MOSHPQCFSA-N
Synonyms
862245-87-2
(5Z)3BUTAN2YL5((2((2HYDROXY2PHENYLETHYL)AMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(secbutyl)5((2((2hydroxy2phenylethyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((2hydroxy2phenylethyl)amino)9methyl4Hpyrido(12a)pyrimidin4one
862245872
CCC(C)N1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCC(C4=CC=CC=C4)O)SC1=S
CCC(N1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)C1=O)C
InChI=1SC25H26N4O3S2c1416(3)2924(32)20(3425(29)33)131821(261419(30)17106571117)272215(2)981228(22)23(18)31h51316192630H414H213H3b2013
MFCD05698312
ZINC000009292294
ZINC000009292297

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Available files

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