Vitas-M small molecule compound

methyl 3-{[(2-{benzyl[(4-methylphenyl)sulfonyl]amino}phenyl)carbonyl]amino}-4-chlorobenzoate

Catalog ID
STL113462
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccccc1N(S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)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 C29H25ClN2O5S MW 549.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN2O5S/c1-20-12-15-23(16-13-20)38(35,36)32(19-21-8-4-3-5-9-21)27-11-7-6-10-24(27)28(33)31-26-18-22(29(34)37-2)14-17-25(26)30/h3-18H,19H2,1-2H3,(H,31,33)
InChIKey
YNBCAOTZYHGYQX-UHFFFAOYSA-N
Synonyms
CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)C(=O)OC)Cl
methyl3(((2(benzyl((4methylphenyl)sulfonyl)amino)phenyl)carbonyl)amino)4chlorobenzoate
METHYL3((2(BENZYL((4METHYLPHENYL)SULFONYL)AMINO)BENZOYL)AMINO)4CHLOROBENZOATE
METHYL3((2(BENZYL(4METHYLPHENYL)SULFONYLAMINO)BENZOYL)AMINO)4CHLOROBENZOATE
Registry IDs
MFCD04371974
ZINC000002853951
ZINC2853951

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Available files

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