Vitas-M small molecule compound

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

Catalog ID
STK876644
SMILES CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)CCO)/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 C22H27N5O3S2 MW 473.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O3S2/c1-3-6-26-21(30)17(32-22(26)31)13-16-19(25-9-7-24(8-10-25)11-12-28)23-18-5-4-15(2)14-27(18)20(16)29/h4-5,13-14,28H,3,6-12H2,1-2H3/b17-13-
InChIKey
HKBVNLKYUJSPSQ-LGMDPLHJSA-N
Synonyms
489417-14-3
(5Z)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROPYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2hydroxyethyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3propyl2thioxothiazolidin4one
2(4(2hydroxyethyl)piperazin1yl)7methyl3((Z)(4oxo3propyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
489417143
5((2(4(2HYDROXYETHYL)PIPERAZINYL)7METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3PROPYL2THIOXO13THIAZOLIDIN4ONE
CCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCN(CC4)CCO)SC1=S
CCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)CCO)C1=O
InChI=1SC22H27N5O3S2c1362621(30)17(3222(26)31)131619(259724(81025)111228)23185415(2)1427(18)20(16)29h45131428H3612H212H3b1713
MFCD03296660
ZINC000020082741
ZINC20082741

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Available files

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