Vitas-M small molecule compound
5-bromo-4-{(1E)-2-cyano-3-oxo-3-[(thiophen-2-ylmethyl)amino]prop-1-en-1-yl}-2-ethoxyphenyl acetate
Catalog ID
STK473295
SMILES CCOc1cc(/C=C(/C(=O)NCc2cccs2)\C#N)c(cc1OC(=O)C)Br
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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 C19H17BrN2O4S MW 449.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O4S/c1-3-25-17-8-13(16(20)9-18(17)26-12(2)23)7-14(10-21)19(24)22-11-15-5-4-6-27-15/h4-9H,3,11H2,1-2H3,(H,22,24)/b14-7+InChIKey
HOSFLHRQFWAZSE-VGOFMYFVSA-NSynonyms
(5bromo4((E)2cyano3oxo3(thiophen2ylmethylamino)prop1enyl)2ethoxyphenyl)acetate
4((1E)2CYANO2(N(2THIENYLMETHYL)CARBAMOYL)VINYL)5BROMO2ETHOXYPHENYLACETATE
5bromo4((1E)2cyano3oxo3((thiophen2ylmethyl)amino)prop1en1yl)2ethoxyphenylacetate
CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=CS2)Br)OC(=O)C
CCOc1cc(C=C(C(=O)NCc2cccs2)C#N)c(cc1OC(=O)C)Br
InChI=1SC19H17BrN2O4Sc132517813(16(20)918(17)2612(2)23)714(1021)19(24)2211155462715h49H311H212H3(H2224)b147+
MFCD07090985
ZINC000019648522
ZINC19648522
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