Vitas-M small molecule compound
4-[(E)-{2-[({4-(2,4-dichlorophenyl)-5-[(naphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl acetate
Catalog ID
STL174526
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccc(cc2Cl)Cl)COc2ccc3c(c2)cccc3)ccc1OC(=O)C
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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 C31H25Cl2N5O5S MW 650.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25Cl2N5O5S/c1-19(39)43-27-12-7-20(13-28(27)41-2)16-34-36-30(40)18-44-31-37-35-29(38(31)26-11-9-23(32)15-25(26)33)17-42-24-10-8-21-5-3-4-6-22(21)14-24/h3-16H,17-18H2,1-2H3,(H,36,40)/b34-16+InChIKey
WHWRMULWEISIQK-AABVJFSESA-NSynonyms
866820-97-5(4((E)((2((4(24dichlorophenyl)5(naphthalen2yloxymethyl)124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenyl)acetate
4((E)(2(((4(24dichlorophenyl)5((naphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenylacetate
866820975
CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)COC4=CC5=CC=CC=C5C=C4)OC
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccc(cc2Cl)Cl)COc2ccc3c(c2)cccc3)ccc1OC(=O)C
InChI=1SC31H25Cl2N5O5Sc119(39)432712720(1328(27)412)16343630(40)184431373529(38(31)2611923(32)1525(26)33)17422410821534622(21)1424h316H1718H212H3(H3640)b3416+
MFCD06197441
ZINC000150392373
ZINC150672577
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.