Vitas-M small molecule compound

4-{(E)-[2-({[(4-bromophenyl)carbonyl]amino}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate (non-preferred name)

Catalog ID
STK755156
SMILES COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(cc2)Br)ccc1OC(=O)c1cccs1

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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 C22H18BrN3O5S MW 516.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O5S/c1-30-18-11-14(4-9-17(18)31-22(29)19-3-2-10-32-19)12-25-26-20(27)13-24-21(28)15-5-7-16(23)8-6-15/h2-12H,13H2,1H3,(H,24,28)(H,26,27)/b25-12+
InChIKey
OCUZMXCIOPZQLM-BRJLIKDPSA-N
Synonyms

(4((E)((2((4bromobenzoyl)amino)acetyl)hydrazinylidene)methyl)2methoxyphenyl)thiophene2carboxylate
4((E)(2((((4bromophenyl)carbonyl)amino)acetyl)hydrazinylidene)methyl)2methoxyphenylthiophene2carboxylate(nonpreferredname)
COC1=C(C=CC(=C1)C=NNC(=O)CNC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=CS3
COc1cc(C=NNC(=O)CNC(=O)c2ccc(cc2)Br)ccc1OC(=O)c1cccs1
InChI=1SC22H18BrN3O5Sc130181114(4917(18)3122(29)1932103219)12252620(27)132421(28)155716(23)8615h212H13H21H3(H2428)(H2627)b2512+
MFCD00827394
ZINC000003117944
ZINC33246659

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Available files

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