Vitas-M small molecule compound

4-{(E)-[2-({benzyl[(3,4-dimethoxyphenyl)sulfonyl]amino}acetyl)hydrazinylidene]methyl}benzoic acid (non-preferred name)

Catalog ID
STK169253
SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1ccccc1)CC(=O)N/N=C/c1ccc(cc1)C(=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 C25H25N3O7S MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O7S/c1-34-22-13-12-21(14-23(22)35-2)36(32,33)28(16-19-6-4-3-5-7-19)17-24(29)27-26-15-18-8-10-20(11-9-18)25(30)31/h3-15H,16-17H2,1-2H3,(H,27,29)(H,30,31)/b26-15+
InChIKey
ZCOWQFATOATVEI-CVKSISIWSA-N
Synonyms

4((1E)2(2(((34DIMETHOXYPHENYL)SULFONYL)BENZYLAMINO)ACETYLAMINO)2AZAVINYL)BENZOICACID
4((2(BENZYL(34DIMETHOXYBENZENESULFONYL)AMINO)ACETYL)HYDRAZONOMETHYL)BENZOICACID
4((E)((2(benzyl(34dimethoxyphenyl)sulfonylamino)acetyl)hydrazinylidene)methyl)benzoicacid
4((E)(2((BENZYL((34DIMETHOXYPHENYL)SULFONYL)AMINO)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID(NONPREFERREDNAME)
COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NN=CC3=CC=C(C=C3)C(=O)O)OC
COc1ccc(cc1OC)S(=O)(=O)N(Cc1ccccc1)CC(=O)NN=Cc1ccc(cc1)C(=O)O
InChI=1SC25H25N3O7Sc13422131221(1423(22)352)36(3233)28(16196435719)1724(29)2726151881020(11918)25(30)31h315H1617H212H3(H2729)(H3031)b2615+
MFCD01900687
ZINC000009056950
ZINC33928016

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Available files

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