Vitas-M small molecule compound

5-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Catalog ID
STL240061
SMILES CCOCCCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)CC)C)/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 C23H31N5O3S2 MW 489.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N5O3S2/c1-5-26-9-11-27(12-10-26)20-17(16(3)18(15-24)21(29)25(20)4)14-19-22(30)28(23(32)33-19)8-7-13-31-6-2/h14H,5-13H2,1-4H3/b19-14-
InChIKey
BWRGIVHEKBJOCW-RGEXLXHISA-N
Synonyms
620150-21-2
(Z)5((3(3ethoxypropyl)4oxo2thioxothiazolidin5ylidene)methyl)6(4ethylpiperazin1yl)14dimethyl2oxo12dihydropyridine3carbonitrile
5((Z)(3(3ETHOXYPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)6(4ETHYLPIPERAZIN1YL)14DIMETHYL2OXOPYRIDINE3CARBONITRILE
5((Z)(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)6(4ethylpiperazin1yl)14dimethyl2oxo12dihydropyridine3carbonitrile
620150212
CCN1CCN(CC1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)CCCOCC
CCOCCCN1C(=S)SC(=Cc2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)CC)C)C1=O
InChI=1SC23H31N5O3S2c152691127(121026)2017(16(3)18(1524)21(29)25(20)4)141922(30)28(23(32)3319)87133162h14H513H214H3b1914
MFCD03685129
ZINC000011614264
ZINC11614264

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Available files

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