Vitas-M small molecule compound
1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STL009266
SMILES N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CC2CCCO2)c(n(c1=O)C)N1CCCC1
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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 C21H24N4O3S2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S2/c1-13-15(18(24-7-3-4-8-24)23(2)19(26)16(13)11-22)10-17-20(27)25(21(29)30-17)12-14-6-5-9-28-14/h10,14H,3-9,12H2,1-2H3/b17-10-InChIKey
VKDQVZOAQKYIMX-YVLHZVERSA-NSynonyms
620153-95-9(Z)14dimethyl2oxo5((4oxo3((tetrahydrofuran2yl)methyl)2thioxothiazolidin5ylidene)methyl)6(pyrrolidin1yl)12dihydropyridine3carbonitrile
14DIMETHYL2OXO5((Z)(4OXO3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)6PYRROLIDIN1YLPYRIDINE3CARBONITRILE
14dimethyl2oxo5((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)6(pyrrolidin1yl)12dihydropyridine3carbonitrile
620153959
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CC3CCCO3)N4CCCC4)C)C#N
InChI=1SC21H24N4O3S2c11315(18(24734824)23(2)19(26)16(13)1122)101720(27)25(21(29)3017)12146592814h1014H3912H212H3b1710
MFCD03686887
N#Cc1c(C)c(C=C2SC(=S)N(C2=O)CC2CCCO2)c(n(c1=O)C)N1CCCC1
ZINC000002249169
ZINC000002249171
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