Vitas-M small molecule compound

1-(3-{(Z)-[3-(3-methylbutyl)-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
STL336282
SMILES CC(CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCC(CC2)C(=O)N)/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 C23H27N5O3S2 MW 485.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O3S2/c1-14(2)6-12-28-22(31)17(33-23(28)32)13-16-20(26-10-7-15(8-11-26)19(24)29)25-18-5-3-4-9-27(18)21(16)30/h3-5,9,13-15H,6-8,10-12H2,1-2H3,(H2,24,29)/b17-13-
InChIKey
KOQZIZABEUDRSY-LGMDPLHJSA-N
Synonyms
797765-54-9
(Z)1(3((3isopentyl4oxo2thioxothiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((Z)(3(3METHYLBUTYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
1(3((Z)(3(3methylbutyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
797765549
CC(C)CCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCC(CC4)C(=O)N)SC1=S
CC(CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCC(CC2)C(=O)N)C1=O)C
InChI=1SC23H27N5O3S2c114(2)6122822(31)17(3323(28)32)131620(2610715(81126)19(24)29)2518534927(18)21(16)30h3591315H681012H212H3(H22429)b1713
MFCD03664787
ZINC000002370165
ZINC2370165

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Available files

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