Vitas-M small molecule compound
methyl 2-[({5-chloro-2-[(4-methylbenzyl)sulfonyl]pyrimidin-4-yl}carbonyl)amino]benzoate
Catalog ID
STK913032
SMILES COC(=O)c1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccc(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 C21H18ClN3O5S MW 459.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O5S/c1-13-7-9-14(10-8-13)12-31(28,29)21-23-11-16(22)18(25-21)19(26)24-17-6-4-3-5-15(17)20(27)30-2/h3-11H,12H2,1-2H3,(H,24,26)InChIKey
YTFWUTVMECFPHK-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3C(=O)OC)Cl
InChI=1SC21H18ClN3O5Sc1137914(10813)1231(2829)21231116(22)18(2521)19(26)2417643515(17)20(27)302h311H12H212H3(H2426)
methyl2(((5chloro2((4methylbenzyl)sulfonyl)pyrimidin4yl)carbonyl)amino)benzoate
methyl2((5chloro2((4methylphenyl)methylsulfonyl)pyrimidine4carbonyl)amino)benzoate
MFCD07427998
ZINC000008917463
ZINC08917463
ZINC8917463
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