Vitas-M small molecule compound

5-[(E)-(2-{[5-methyl-2-(propan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]furan-2-sulfonate

Catalog ID
STL070784
SMILES O=C(COc1cc(C)ccc1C(C)C)N/N=C/c1ccc(o1)S(=O)(=O)[O-]

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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 C17H19N2O6S MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O6S/c1-11(2)14-6-4-12(3)8-15(14)24-10-16(20)19-18-9-13-5-7-17(25-13)26(21,22)23/h4-9,11H,10H2,1-3H3,(H,19,20)(H,21,22,23)/p-1/b18-9+
InChIKey
RMXIRIHCQZTQMH-GIJQJNRQSA-M
Synonyms

5((E)((2(5methyl2propan2ylphenoxy)acetyl)hydrazinylidene)methyl)furan2sulfonate
5((E)(2((5methyl2(propan2yl)phenoxy)acetyl)hydrazinylidene)methyl)furan2sulfonate
CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC=C(O2)S(=O)(=O)(O)
InChI=1SC17H20N2O6Sc111(2)146412(3)815(14)241016(20)19189135717(2513)26(2122)23h4911H10H213H3(H1920)(H212223)p1b189+
O=C(COc1cc(C)ccc1C(C)C)NN=Cc1ccc(o1)S(=O)(=O)(O)
O=C(COc1cc(C)ccc1C(C)C)NN=Cc1ccc(o1)S(=O)(=O)(O)(Na+)
sodium(E)5((2(2(2isopropyl5methylphenoxy)acetyl)hydrazono)methyl)furan2sulfonate
SODIUM5((2(2ISOPROPYL5METHYLPHENOXY)ACETYL)HYDRAZONOMETHYL)FURAN2SULFONATE
ZINC000002350235

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Available files

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