Vitas-M small molecule compound

3-[(Z)-(3-butyl-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
STK554999
SMILES CCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)/C1=O

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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/c1-3-4-12-29-24(32)20(34-25(29)33)14-18-21(26-15-19(30)17-10-6-5-7-11-17)27-22-16(2)9-8-13-28(22)23(18)31/h5-11,13-14,19,26,30H,3-4,12,15H2,1-2H3/b20-14-
InChIKey
WZLZPIDZFGQGHK-ZHZULCJRSA-N
Synonyms
840496-27-7
(5Z)3BUTYL5((2((2HYDROXY2PHENYLETHYL)AMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3butyl5((2((2hydroxy2phenylethyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3butyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((2hydroxy2phenylethyl)amino)9methyl4Hpyrido(12a)pyrimidin4one
840496277
CCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCC(C4=CC=CC=C4)O)SC1=S
CCCCN1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)C1=O
InChI=1SC25H26N4O3S2c134122924(32)20(3425(29)33)141821(261519(30)17106571117)272216(2)981328(22)23(18)31h5111314192630H341215H212H3b2014
MFCD04008160
ZINC000013751724
ZINC000013751726

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Available files

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