Vitas-M small molecule compound
1,4-dimethyl-5-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-oxo-6-(thiomorpholin-4-yl)-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STL003672
SMILES N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CCC(C)C)c(n(c1=O)C)N1CCSCC1
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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 C21H26N4O2S3 MW 462.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S3/c1-13(2)5-6-25-20(27)17(30-21(25)28)11-15-14(3)16(12-22)19(26)23(4)18(15)24-7-9-29-10-8-24/h11,13H,5-10H2,1-4H3/b17-11-InChIKey
TWECYIBEAHUIHB-BOPFTXTBSA-NSynonyms
620151-95-3(Z)5((3isopentyl4oxo2thioxothiazolidin5ylidene)methyl)14dimethyl2oxo6thiomorpholino12dihydropyridine3carbonitrile
14DIMETHYL5((Z)(3(3METHYLBUTYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2OXO6THIOMORPHOLIN4YLPYRIDINE3CARBONITRILE
14dimethyl5((Z)(3(3methylbutyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2oxo6(thiomorpholin4yl)12dihydropyridine3carbonitrile
620151953
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC(C)C)N3CCSCC3)C)C#N
InChI=1SC21H26N4O2S3c113(2)562520(27)17(3021(25)28)111514(3)16(1222)19(26)23(4)18(15)24792910824h1113H510H214H3b1711
MFCD03692032
N#Cc1c(C)c(C=C2SC(=S)N(C2=O)CCC(C)C)c(n(c1=O)C)N1CCSCC1
ZINC000002253703
ZINC02253703
ZINC2253703
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