Vitas-M small molecule compound
5-{5-[(E)-{2-[(1,3-benzodioxol-5-ylamino)acetyl]hydrazinylidene}methyl]furan-2-yl}-2-chlorobenzoic acid (non-preferred name)
Catalog ID
STL377014
SMILES O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl
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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 C21H16ClN3O6 MW 441.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O6/c22-16-4-1-12(7-15(16)21(27)28)17-6-3-14(31-17)9-24-25-20(26)10-23-13-2-5-18-19(8-13)30-11-29-18/h1-9,23H,10-11H2,(H,25,26)(H,27,28)/b24-9+InChIKey
ZNQWKCWQQOXJLQ-PGGKNCGUSA-NSynonyms
5(5((E)((2(13benzodioxol5ylamino)acetyl)hydrazinylidene)methyl)furan2yl)2chlorobenzoicacid
5(5((E)(2((13benzodioxol5ylamino)acetyl)hydrazinylidene)methyl)furan2yl)2chlorobenzoicacid(nonpreferredname)
C1OC2=C(O1)C=C(C=C2)NCC(=O)NN=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O
InChI=1SC21H16ClN3O6c22164112(715(16)21(27)28)176314(3117)9242520(26)102313251819(813)30112918h1923H1011H2(H2526)(H2728)b249+
MFCD02941654
O=C(CNc1ccc2c(c1)OCO2)NN=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl
ZINC000008814620
ZINC33304245
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