Vitas-M small molecule compound
4-{(1E)-2-cyano-3-oxo-3-[(2,4,6-trimethylphenyl)amino]prop-1-en-1-yl}phenyl 4-(acetylamino)benzenesulfonate
Catalog ID
STK381452
SMILES N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)NC(=O)C)/C(=O)Nc1c(C)cc(cc1C)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 C27H25N3O5S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5S/c1-17-13-18(2)26(19(3)14-17)30-27(32)22(16-28)15-21-5-9-24(10-6-21)35-36(33,34)25-11-7-23(8-12-25)29-20(4)31/h5-15H,1-4H3,(H,29,31)(H,30,32)/b22-15+InChIKey
BTSNERKVLQHABQ-PXLXIMEGSA-NSynonyms
(4((E)2CYANO3OXO3(246TRIMETHYLANILINO)PROP1ENYL)PHENYL)4ACETAMIDOBENZENESULFONATE
4((1E)2CYANO2(N(246TRIMETHYLPHENYL)CARBAMOYL)VINYL)PHENYL4(ACETYLAMINO)BENZENESULFONATE
4((1E)2cyano3oxo3((246trimethylphenyl)amino)prop1en1yl)phenyl4(acetylamino)benzenesulfonate
CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C#N)C
InChI=1SC27H25N3O5Sc1171318(2)26(19(3)1417)3027(32)22(1628)15215924(10621)3536(3334)2511723(81225)2920(4)31h515H14H3(H2931)(H3032)b2215+
MFCD03037534
N#CC(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)NC(=O)C)C(=O)Nc1c(C)cc(cc1C)C
ZINC000008721975
ZINC08721975
ZINC8721975
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