Vitas-M small molecule compound

methyl 2-[({5-chloro-2-[(2-fluorobenzyl)sulfonyl]pyrimidin-4-yl}carbonyl)amino]benzoate

Catalog ID
STK912541
SMILES COC(=O)c1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1F

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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 C20H15ClFN3O5S MW 463.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClFN3O5S/c1-30-19(27)13-7-3-5-9-16(13)24-18(26)17-14(21)10-23-20(25-17)31(28,29)11-12-6-2-4-8-15(12)22/h2-10H,11H2,1H3,(H,24,26)
InChIKey
MUYWWMVWQLMOMB-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3F
InChI=1SC20H15ClFN3O5Sc13019(27)13735916(13)2418(26)1714(21)102320(2517)31(2829)1112624815(12)22h210H11H21H3(H2426)
methyl2(((5chloro2((2fluorobenzyl)sulfonyl)pyrimidin4yl)carbonyl)amino)benzoate
methyl2((5chloro2((2fluorophenyl)methylsulfonyl)pyrimidine4carbonyl)amino)benzoate
MFCD07427491
ZINC000008613666
ZINC08613666
ZINC8613666

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Available files

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