Vitas-M small molecule compound
methyl 3-{[4-chloro-5-{(E)-[2-(cyclohex-3-en-1-ylcarbonyl)hydrazinylidene]methyl}-2-oxo-1,3-thiazol-3(2H)-yl]methyl}benzoate
Catalog ID
STL001030
SMILES COC(=O)c1cccc(c1)Cn1c(=O)sc(c1Cl)/C=N/NC(=O)C1CCC=CC1
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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 C20H20ClN3O4S MW 433.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O4S/c1-28-19(26)15-9-5-6-13(10-15)12-24-17(21)16(29-20(24)27)11-22-23-18(25)14-7-3-2-4-8-14/h2-3,5-6,9-11,14H,4,7-8,12H2,1H3,(H,23,25)/b22-11+InChIKey
GBQARYQGXLJXCT-SSDVNMTOSA-NSynonyms
609790-75-2(E)methyl3((4chloro5((2(cyclohex3enecarbonyl)hydrazono)methyl)2oxothiazol3(2H)yl)methyl)benzoate
609790752
COC(=O)C1=CC(=CC=C1)CN2C(=C(SC2=O)C=NNC(=O)C3CCC=CC3)Cl
COC(=O)c1cccc(c1)Cn1c(=O)sc(c1Cl)C=NNC(=O)C1CCC=CC1
InChI=1SC20H20ClN3O4Sc12819(26)1595613(1015)122417(21)16(2920(24)27)11222318(25)147324814h235691114H47812H21H3(H2325)b2211+
methyl3((4chloro5((E)(2(cyclohex3en1ylcarbonyl)hydrazinylidene)methyl)2oxo13thiazol3(2H)yl)methyl)benzoate
methyl3((4chloro5((E)(cyclohex3ene1carbonylhydrazinylidene)methyl)2oxo13thiazol3yl)methyl)benzoate
MFCD03678646
ZINC000002224198
ZINC000002224201
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