Vitas-M small molecule compound
4-{(1E)-3-amino-3-oxo-2-[(phenylcarbonyl)amino]prop-1-en-1-yl}phenyl 4-methylbenzenesulfonate
Catalog ID
STK700028
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C(\C(=O)N)/NC(=O)c1ccccc1
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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 C23H20N2O5S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5S/c1-16-7-13-20(14-8-16)31(28,29)30-19-11-9-17(10-12-19)15-21(22(24)26)25-23(27)18-5-3-2-4-6-18/h2-15H,1H3,(H2,24,26)(H,25,27)/b21-15+InChIKey
HZNBRDMIQGJKAO-RCCKNPSSSA-NSynonyms
369608-31-1(4((E)3AMINO2BENZAMIDO3OXOPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
(E)4(3amino2benzamido3oxoprop1en1yl)phenyl4methylbenzenesulfonate
369608311
4((1E)3amino3oxo2((phenylcarbonyl)amino)prop1en1yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)N)NC(=O)C3=CC=CC=C3
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C=C(C(=O)N)NC(=O)c1ccccc1
InChI=1SC23H20N2O5Sc11671320(14816)31(2829)301911917(101219)1521(22(24)26)2523(27)185324618h215H1H3(H22426)(H2527)b2115+
MFCD01557157
ZINC000013739282
ZINC13739282
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