Vitas-M small molecule compound

methyl {4-[(E)-(2-{[(4-ethoxyphenyl)(methylsulfonyl)amino]acetyl}hydrazinylidene)methyl]phenoxy}acetate (non-preferred name)

Catalog ID
STK917385
SMILES CCOc1ccc(cc1)N(S(=O)(=O)C)CC(=O)N/N=C/c1ccc(cc1)OCC(=O)OC

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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 C21H25N3O7S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O7S/c1-4-30-18-11-7-17(8-12-18)24(32(3,27)28)14-20(25)23-22-13-16-5-9-19(10-6-16)31-15-21(26)29-2/h5-13H,4,14-15H2,1-3H3,(H,23,25)/b22-13+
InChIKey
TZORZTHHBBLABE-LPYMAVHISA-N
Synonyms

CCOC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)OC)S(=O)(=O)C
CCOc1ccc(cc1)N(S(=O)(=O)C)CC(=O)NN=Cc1ccc(cc1)OCC(=O)OC
InChI=1SC21H25N3O7Sc14301811717(81218)24(32(327)28)1420(25)232213165919(10616)311521(26)292h513H41415H213H3(H2325)b2213+
methyl(4((E)(2(((4ethoxyphenyl)(methylsulfonyl)amino)acetyl)hydrazinylidene)methyl)phenoxy)acetate(nonpreferredname)
METHYL2(4((1E)2(2((4ETHOXYPHENYL)(METHYLSULFONYL)AMINO)ACETYLAMINO)2AZAVINYL)PHENOXY)ACETATE
methyl2(4((E)((2(4ethoxyNmethylsulfonylanilino)acetyl)hydrazinylidene)methyl)phenoxy)acetate
MFCD01187094
ZINC000016691615
ZINC102944705

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.