Vitas-M small molecule compound
methyl 4-[({5-chloro-2-[(4-fluorobenzyl)sulfanyl]pyrimidin-4-yl}carbonyl)amino]benzoate
Catalog ID
STK854583
SMILES COC(=O)c1ccc(cc1)NC(=O)c1nc(SCc2ccc(cc2)F)ncc1Cl
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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 C20H15ClFN3O3S MW 431.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClFN3O3S/c1-28-19(27)13-4-8-15(9-5-13)24-18(26)17-16(21)10-23-20(25-17)29-11-12-2-6-14(22)7-3-12/h2-10H,11H2,1H3,(H,24,26)InChIKey
GWROEKVCNDFEJD-UHFFFAOYSA-NSynonyms
874191-75-0874191750
COC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F
InChI=1SC20H15ClFN3O3Sc12819(27)134815(9513)2418(26)1716(21)102320(2517)2911122614(22)7312h210H11H21H3(H2426)
methyl4(((5chloro2((4fluorobenzyl)sulfanyl)pyrimidin4yl)carbonyl)amino)benzoate
methyl4((5chloro2((4fluorophenyl)methylsulfanyl)pyrimidine4carbonyl)amino)benzoate
methyl4(5chloro2((4fluorobenzyl)thio)pyrimidine4carboxamido)benzoate
MFCD07427023
ZINC000008916726
ZINC08916726
ZINC8916726
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