Vitas-M small molecule compound

{2-[(E)-(2-{[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]acetyl}hydrazinylidene)methyl]phenoxy}acetate

Catalog ID
STL038079
SMILES [O-]C(=O)COc1ccccc1/C=N/NC(=O)C[NH+]1CCN(CC1)Cc1ccc(cc1)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 C22H25ClN4O4 MW 444.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN4O4/c23-19-7-5-17(6-8-19)14-26-9-11-27(12-10-26)15-21(28)25-24-13-18-3-1-2-4-20(18)31-16-22(29)30/h1-8,13H,9-12,14-16H2,(H,25,28)(H,29,30)/b24-13+
InChIKey
WNZDKEPHQWEHDD-ZMOGYAJESA-N
Synonyms
488706-70-3
(2((2(4(4CHLOROBENZYL)PIPERAZIN1YL)ACETYL)HYDRAZONOMETHYL)PHENOXY)ACETICACID
(2((E)(2((4(4chlorobenzyl)piperazin1ium1yl)acetyl)hydrazinylidene)methyl)phenoxy)acetate
(O)C(=O)COc1ccccc1C=NNC(=O)C(NH+)1CCN(CC1)Cc1ccc(cc1)Cl
2(2((1E)2(2(4((4CHLOROPHENYL)METHYL)PIPERAZINYL)ACETYLAMINO)2AZAVINYL)PHENOXY)ACETICACID
2(2((E)((2(4((4chlorophenyl)methyl)piperazin1ium1yl)acetyl)hydrazinylidene)methyl)phenoxy)acetate
488706703
C1CN(CC(NH+)1CC(=O)NN=CC2=CC=CC=C2OCC(=O)(O))CC3=CC=C(C=C3)Cl
InChI=1SC22H25ClN4O4c23197517(6819)142691127(121026)1521(28)25241318312420(18)311622(29)30h1813H9121416H2(H2528)(H2930)b2413+
MFCD03222042
ZINC000019682674
ZINC22920936

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Available files

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