Vitas-M small molecule compound
methyl 2-[({5-chloro-2-[(3-methylbenzyl)sulfanyl]pyrimidin-4-yl}carbonyl)amino]benzoate
Catalog ID
STK608242
SMILES COC(=O)c1ccccc1NC(=O)c1nc(SCc2cccc(c2)C)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 C21H18ClN3O3S MW 427.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3S/c1-13-6-5-7-14(10-13)12-29-21-23-11-16(22)18(25-21)19(26)24-17-9-4-3-8-15(17)20(27)28-2/h3-11H,12H2,1-2H3,(H,24,26)InChIKey
WEIDILBRQAPFBE-UHFFFAOYSA-NSynonyms
885726-76-1885726761
CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3C(=O)OC)Cl
InChI=1SC21H18ClN3O3Sc11365714(1013)122921231116(22)18(2521)19(26)2417943815(17)20(27)282h311H12H212H3(H2426)
methyl2(((5chloro2((3methylbenzyl)sulfanyl)pyrimidin4yl)carbonyl)amino)benzoate
methyl2((5chloro2((3methylphenyl)methylsulfanyl)pyrimidine4carbonyl)amino)benzoate
methyl2(5chloro2((3methylbenzyl)thio)pyrimidine4carboxamido)benzoate
MFCD07454755
ZINC000013625500
ZINC13625500
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