Vitas-M small molecule compound
2-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]phenyl benzenesulfonate
Catalog ID
STK385636
SMILES N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)/C(=O)NCc1ccccc1
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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 C23H18N2O4S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O4S/c24-16-20(23(26)25-17-18-9-3-1-4-10-18)15-19-11-7-8-14-22(19)29-30(27,28)21-12-5-2-6-13-21/h1-15H,17H2,(H,25,26)/b20-15+InChIKey
CVGOULSTRJFYQG-HMMYKYKNSA-NSynonyms
(2((E)3(benzylamino)2cyano3oxoprop1enyl)phenyl)benzenesulfonate
2((1E)2CYANO2(NBENZYLCARBAMOYL)VINYL)PHENYLBENZENESULFONATE
2((1E)3(BENZYLAMINO)2CYANO3OXOPROP1EN1YL)PHENYLBENZENESULFONATE
C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3)C#N
InChI=1SC23H18N2O4Sc241620(23(26)25171893141018)151911781422(19)2930(2728)21125261321h115H17H2(H2526)b2015+
MFCD02314281
N#CC(=Cc1ccccc1OS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1
ZINC000016158214
ZINC16158214
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