Vitas-M small molecule compound
methyl 4-[({5-chloro-2-[(4-methylbenzyl)sulfanyl]pyrimidin-4-yl}carbonyl)amino]benzoate
Catalog ID
STK855392
SMILES COC(=O)c1ccc(cc1)NC(=O)c1nc(ncc1Cl)SCc1ccc(cc1)C
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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 C21H18ClN3O3S MW 427.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3S/c1-13-3-5-14(6-4-13)12-29-21-23-11-17(22)18(25-21)19(26)24-16-9-7-15(8-10-16)20(27)28-2/h3-11H,12H2,1-2H3,(H,24,26)InChIKey
RUPIDKPTOXJGAP-UHFFFAOYSA-NSynonyms
874191-44-3874191443
CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl
InChI=1SC21H18ClN3O3Sc1133514(6413)122921231117(22)18(2521)19(26)24169715(81016)20(27)282h311H12H212H3(H2426)
methyl4(((5chloro2((4methylbenzyl)sulfanyl)pyrimidin4yl)carbonyl)amino)benzoate
methyl4((5chloro2((4methylphenyl)methylsulfanyl)pyrimidine4carbonyl)amino)benzoate
methyl4(5chloro2((4methylbenzyl)thio)pyrimidine4carboxamido)benzoate
MFCD07426991
ZINC000008916689
ZINC08916689
ZINC8916689
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