Vitas-M small molecule compound

1-(3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

Catalog ID
STK611557
SMILES COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCC(CC2)C(=O)N)/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 C22H25N5O4S2 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4S2/c1-31-12-4-9-27-21(30)16(33-22(27)32)13-15-19(25-10-6-14(7-11-25)18(23)28)24-17-5-2-3-8-26(17)20(15)29/h2-3,5,8,13-14H,4,6-7,9-12H2,1H3,(H2,23,28)/b16-13-
InChIKey
SSUKLOUFNMQAAN-SSZFMOIBSA-N
Synonyms
607704-17-6
(Z)1(3((3(3methoxypropyl)4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((Z)(3(3METHOXYPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
1(3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
607704176
COCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCC(CC4)C(=O)N)SC1=S
COCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)C(=O)N)C1=O
InChI=1SC22H25N5O4S2c13112492721(30)16(3322(27)32)131519(2510614(71125)18(23)28)2417523826(17)20(15)29h23581314H467912H21H3(H22328)b1613
MFCD03665993
ZINC000002374802
ZINC2374802

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Available files

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