Vitas-M small molecule compound
methyl (2E)-2-[(4-tert-butylphenyl)sulfonyl]-3-[(4-methoxyphenyl)amino]prop-2-enoate
Catalog ID
STL133287
SMILES COc1ccc(cc1)N/C=C(/S(=O)(=O)c1ccc(cc1)C(C)(C)C)\C(=O)OC
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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 C21H25NO5S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S/c1-21(2,3)15-6-12-18(13-7-15)28(24,25)19(20(23)27-5)14-22-16-8-10-17(26-4)11-9-16/h6-14,22H,1-5H3/b19-14+InChIKey
KFAAGJUVPGABFV-XMHGGMMESA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=C(C=C2)OC)C(=O)OC
COc1ccc(cc1)NC=C(S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(=O)OC
InChI=1SC21H25NO5Sc121(23)1561218(13715)28(2425)19(20(23)275)14221681017(264)11916h61422H15H3b1914+
methyl(2E)2((4tertbutylphenyl)sulfonyl)3((4methoxyphenyl)amino)prop2enoate
methyl(E)2(4tertbutylphenyl)sulfonyl3(4methoxyanilino)prop2enoate
MFCD20753607
ZINC000067340429
ZINC67340429
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