Vitas-M small molecule compound

methyl 4-({[2-(benzylsulfonyl)-5-chloropyrimidin-4-yl]carbonyl}amino)benzoate

Catalog ID
STK912279
SMILES COC(=O)c1ccc(cc1)NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1

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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 C20H16ClN3O5S MW 445.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O5S/c1-29-19(26)14-7-9-15(10-8-14)23-18(25)17-16(21)11-22-20(24-17)30(27,28)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,25)
InChIKey
INBRIJJYXXIQAF-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3
InChI=1SC20H16ClN3O5Sc12919(26)147915(10814)2318(25)1716(21)112220(2417)30(2728)12135324613h211H12H21H3(H2325)
methyl4(((2(benzylsulfonyl)5chloropyrimidin4yl)carbonyl)amino)benzoate
methyl4((2benzylsulfonyl5chloropyrimidine4carbonyl)amino)benzoate
MFCD07427222
ZINC000008916937
ZINC08916937
ZINC8916937

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Available files

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