Vitas-M small molecule compound

2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK982848
SMILES OCCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C(C)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 C22H27N5O3S2 MW 473.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O3S2/c1-14(2)27-21(30)17(32-22(27)31)13-16-19(25-9-7-24(8-10-25)11-12-28)23-18-15(3)5-4-6-26(18)20(16)29/h4-6,13-14,28H,7-12H2,1-3H3/b17-13-
InChIKey
MNRMRYXUVLVMEV-LGMDPLHJSA-N
Synonyms
488853-34-5
(5Z)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2hydroxyethyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3isopropyl2thioxothiazolidin4one
2(4(2hydroxyethyl)piperazin1yl)9methyl3((Z)(4oxo3(propan2yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
488853345
5((2(4(2HYDROXYETHYL)PIPERAZINYL)9METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(METHYLETHYL)2THIOXO13THIAZOLIDIN4ONE
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C)N4CCN(CC4)CCO
InChI=1SC22H27N5O3S2c114(2)2721(30)17(3222(27)31)131619(259724(81025)111228)231815(3)54626(18)20(16)29h46131428H712H213H3b1713
MFCD03294781
OCCN1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C(C)C
ZINC000020081301
ZINC20081301

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Available files

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