Vitas-M small molecule compound

2-(4-{(E)-[2-({(2,4-dimethoxyphenyl)[(2-nitrophenyl)sulfonyl]amino}acetyl)hydrazinylidene]methyl}phenoxy)acetamide (non-preferred name)

Catalog ID
STL114889
SMILES COc1cc(OC)ccc1N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)N/N=C/c1ccc(cc1)OCC(=O)N

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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 C25H25N5O9S MW 571.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O9S/c1-37-19-11-12-20(22(13-19)38-2)29(40(35,36)23-6-4-3-5-21(23)30(33)34)15-25(32)28-27-14-17-7-9-18(10-8-17)39-16-24(26)31/h3-14H,15-16H2,1-2H3,(H2,26,31)(H,28,32)/b27-14+
InChIKey
DLALTQWXCMULER-MZJWZYIUSA-N
Synonyms

2(4((E)(2(((24dimethoxyphenyl)((2nitrophenyl)sulfonyl)amino)acetyl)hydrazinylidene)methyl)phenoxy)acetamide(nonpreferredname)
COC1=CC(=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)N)S(=O)(=O)C3=CC=CC=C3(N+)(=O)(O))OC
COc1cc(OC)ccc1N(S(=O)(=O)c1ccccc1(N+)(=O)(O))CC(=O)NN=Cc1ccc(cc1)OCC(=O)N
InChI=1SC25H25N5O9Sc13719111220(22(1319)382)29(40(3536)23643521(23)30(33)34)1525(32)282714177918(10817)391624(26)31h314H1516H212H3(H22631)(H2832)b2714+
MFCD02808172
N((1E)2(4(CARBAMOYLMETHOXY)PHENYL)1AZAVINYL)2((24DIMETHOXYPHENYL)((2NITROPHENYL)SULFONYL)AMINO)ACETAMIDE
N((E)(4(2amino2oxoethoxy)phenyl)methylideneamino)2(24dimethoxyN(2nitrophenyl)sulfonylanilino)acetamide
ZINC000100958722
ZINC103153867

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Available files

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