Vitas-M small molecule compound
ethyl 4-(5-cyano-1,4-dimethyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-oxo-1,6-dihydropyridin-2-yl)piperazine-1-carboxylate
Catalog ID
STL042225
SMILES CCOC(=O)N1CCN(CC1)c1c(/C=C/2\SC(=S)N(C2=O)Cc2ccc(cc2)C)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 C27H29N5O4S2 MW 551.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O4S2/c1-5-36-26(35)31-12-10-30(11-13-31)23-20(18(3)21(15-28)24(33)29(23)4)14-22-25(34)32(27(37)38-22)16-19-8-6-17(2)7-9-19/h6-9,14H,5,10-13,16H2,1-4H3/b22-14-InChIKey
AGPMDNFTFHCRGQ-HMAPJEAMSA-NSynonyms
(Z)ethyl4(5cyano14dimethyl3((3(4methylbenzyl)4oxo2thioxothiazolidin5ylidene)methyl)6oxo16dihydropyridin2yl)piperazine1carboxylate
CCOC(=O)N1CCN(CC1)c1c(C=C2SC(=S)N(C2=O)Cc2ccc(cc2)C)c(C)c(c(=O)n1C)C#N
CCOC(=O)N1CCN(CC1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C
ETHYL4(5CYANO14DIMETHYL3((Z)(3((4METHYLPHENYL)METHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)6OXOPYRIDIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(5cyano14dimethyl3((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)6oxo16dihydropyridin2yl)piperazine1carboxylate
InChI=1SC27H29N5O4S2c153626(35)31121030(111331)2320(18(3)21(1528)24(33)29(23)4)142225(34)32(27(37)3822)16198617(2)7919h6914H5101316H214H3b2214
MFCD03695084
ZINC000097947518
ZINC97947518
Check stock
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Check stock on Vitas-MAvailable files
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