Vitas-M small molecule compound
4-{(1E)-2-(acetylamino)-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzenesulfonate
Catalog ID
STK553561
SMILES COc1ccc(cc1)NC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)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 C25H24N2O6S MW 480.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6S/c1-17-4-14-23(15-5-17)34(30,31)33-22-10-6-19(7-11-22)16-24(26-18(2)28)25(29)27-20-8-12-21(32-3)13-9-20/h4-16H,1-3H3,(H,26,28)(H,27,29)/b24-16+InChIKey
LBAAZTQVRWSICL-LFVJCYFKSA-NSynonyms
840461-98-5(4((E)2ACETAMIDO3(4METHOXYANILINO)3OXOPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
(E)4(2acetamido3((4methoxyphenyl)amino)3oxoprop1en1yl)phenyl4methylbenzenesulfonate
4((1E)2(acetylamino)3((4methoxyphenyl)amino)3oxoprop1en1yl)phenyl4methylbenzenesulfonate
840461985
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NC3=CC=C(C=C3)OC)NC(=O)C
COc1ccc(cc1)NC(=O)C(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)NC(=O)C
InChI=1SC25H24N2O6Sc11741423(15517)34(3031)332210619(71122)1624(2618(2)28)25(29)272081221(323)13920h416H13H3(H2628)(H2729)b2416+
MFCD04004434
ZINC000013749870
ZINC13749870
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