Vitas-M small molecule compound

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

Catalog ID
STK587542
SMILES OCCN1CCN(CC1)c1c(/C=C/2\SC(=S)N(C2=O)Cc2ccccc2Cl)c(C)c(c(=O)n1C)C#N

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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 C25H26ClN5O3S2 MW 544.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN5O3S2/c1-16-18(13-21-24(34)31(25(35)36-21)15-17-5-3-4-6-20(17)26)22(28(2)23(33)19(16)14-27)30-9-7-29(8-10-30)11-12-32/h3-6,13,32H,7-12,15H2,1-2H3/b21-13-
InChIKey
CJUABISZNAOPOD-BKUYFWCQSA-N
Synonyms
620151-05-5
(Z)5((3(2chlorobenzyl)4oxo2thioxothiazolidin5ylidene)methyl)6(4(2hydroxyethyl)piperazin1yl)14dimethyl2oxo12dihydropyridine3carbonitrile
5((Z)(3((2CHLOROPHENYL)METHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)6(4(2HYDROXYETHYL)PIPERAZIN1YL)14DIMETHYL2OXOPYRIDINE3CARBONITRILE
5((Z)(3(2chlorobenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)6(4(2hydroxyethyl)piperazin1yl)14dimethyl2oxo12dihydropyridine3carbonitrile
620151055
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3Cl)N4CCN(CC4)CCO)C)C#N
InChI=1SC25H26ClN5O3S2c11618(132124(34)31(25(35)3621)1517534620(17)26)22(28(2)23(33)19(16)1427)309729(81030)111232h361332H71215H212H3b2113
MFCD03691244
OCCN1CCN(CC1)c1c(C=C2SC(=S)N(C2=O)Cc2ccccc2Cl)c(C)c(c(=O)n1C)C#N
ZINC000100912961
ZINC100912961

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Available files

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