Vitas-M small molecule compound
4-{3-[(E)-{2-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK198295
SMILES O=C(CSc1nc2c(s1)cccc2)N/N=C/c1cc(n(c1C)c1ccc(cc1)C(=O)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 C23H20N4O3S2 MW 464.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S2/c1-14-11-17(15(2)27(14)18-9-7-16(8-10-18)22(29)30)12-24-26-21(28)13-31-23-25-19-5-3-4-6-20(19)32-23/h3-12H,13H2,1-2H3,(H,26,28)(H,29,30)/b24-12+InChIKey
IRNFTQLBQNNQFE-WYMPLXKRSA-NSynonyms
627055-04-34(3((E)((2(13benzothiazol2ylsulfanyl)acetyl)hydrazinylidene)methyl)25dimethylpyrrol1yl)benzoicacid
4(3((E)(2((13BENZOTHIAZOL2YLSULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
627055043
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=NNC(=O)CSC3=NC4=CC=CC=C4S3
InChI=1SC23H20N4O3S2c1141117(15(2)27(14)189716(81018)22(29)30)12242621(28)1331232519534620(19)3223h312H13H212H3(H2628)(H2930)b2412+
MFCD02614488
O=C(CSc1nc2c(s1)cccc2)NN=Cc1cc(n(c1C)c1ccc(cc1)C(=O)O)C
ZINC000002728562
ZINC96585867
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