Vitas-M small molecule compound

3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethylpiperazin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK982885
SMILES CCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)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 C26H27N5O2S2 MW 505.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O2S2/c1-3-28-11-13-29(14-12-28)23-20(24(32)30-16-18(2)9-10-22(30)27-23)15-21-25(33)31(26(34)35-21)17-19-7-5-4-6-8-19/h4-10,15-16H,3,11-14,17H2,1-2H3/b21-15-
InChIKey
FSZUTJGPBQXVLU-QNGOZBTKSA-N
Synonyms
489444-85-1
(5Z)3BENZYL5((2(4ETHYLPIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3benzyl5((2(4ethylpiperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(4ethylpiperazin1yl)7methyl4Hpyrido(12a)pyrimidin4one
489444851
CCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccccc1)C
CCN1CCN(CC1)C2=C(C(=O)N3C=C(C=CC3=N2)C)C=C4C(=O)N(C(=S)S4)CC5=CC=CC=C5
InChI=1SC26H27N5O2S2c1328111329(141228)2320(24(32)301618(2)91022(30)2723)152125(33)31(26(34)3521)17197546819h4101516H3111417H212H3b2115
MFCD03297491
ZINC000008858072
ZINC8858072

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Available files

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