Vitas-M small molecule compound

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

Catalog ID
STL136442
SMILES COc1ccc(c(c1)OC)N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)N/N=C/c1ccc(cc1)OCC(=O)Nc1ccccc1Cl

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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 C31H28ClN5O9S MW 682.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN5O9S/c1-44-23-15-16-26(28(17-23)45-2)36(47(42,43)29-10-6-5-9-27(29)37(40)41)19-30(38)35-33-18-21-11-13-22(14-12-21)46-20-31(39)34-25-8-4-3-7-24(25)32/h3-18H,19-20H2,1-2H3,(H,34,39)(H,35,38)/b33-18+
InChIKey
GLJCICUIWXBOTK-DPNNOFEESA-N
Synonyms

COC1=CC(=C(C=C1)N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4(N+)(=O)(O))OC
COc1ccc(c(c1)OC)N(S(=O)(=O)c1ccccc1(N+)(=O)(O))CC(=O)NN=Cc1ccc(cc1)OCC(=O)Nc1ccccc1Cl
InChI=1SC31H28ClN5O9Sc14423151626(28(1723)452)36(47(4243)291065927(29)37(40)41)1930(38)35331821111322(141221)462031(39)3425843724(25)32h318H1920H212H3(H3439)(H3538)b3318+
MFCD03550154
N((1E)2(4((N(2CHLOROPHENYL)CARBAMOYL)METHOXY)PHENYL)1AZAVINYL)2((24DIMETHOXYPHENYL)((2NITROPHENYL)SULFONYL)AMINO)ACETAMIDE
N((E)(4(2(2chloroanilino)2oxoethoxy)phenyl)methylideneamino)2(24dimethoxyN(2nitrophenyl)sulfonylanilino)acetamide
N(2chlorophenyl)2(4((E)(2(((24dimethoxyphenyl)((2nitrophenyl)sulfonyl)amino)acetyl)hydrazinylidene)methyl)phenoxy)acetamide(nonpreferredname)
ZINC000150363761
ZINC150588822

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Available files

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