Vitas-M small molecule compound
ethyl (4-{(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-bromo-6-ethoxyphenoxy)acetate
Catalog ID
STK758063
SMILES CCOC(=O)COc1c(Br)cc(cc1OCC)/C=C(/c1nn(c(c1C#N)N)CCO)\C#N
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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 C21H22BrN5O5 MW 504.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O5/c1-3-30-17-9-13(8-16(22)20(17)32-12-18(29)31-4-2)7-14(10-23)19-15(11-24)21(25)27(26-19)5-6-28/h7-9,28H,3-6,12,25H2,1-2H3/b14-7+InChIKey
KKYDXOAVBKUIBS-VGOFMYFVSA-NSynonyms
CCOC(=O)COc1c(Br)cc(cc1OCC)C=C(c1nn(c(c1C#N)N)CCO)C#N
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)Br)OCC(=O)OCC
ethyl(4((Z)2(5amino4cyano1(2hydroxyethyl)1Hpyrazol3yl)2cyanoethenyl)2bromo6ethoxyphenoxy)acetate
ETHYL(4(2(5AMINO4CYANO1(2HYDROXYETHYL)1HPYRAZOL3YL)2CYANOVINYL)2BROMO6ETHOXYPHENOXY)ACETATE
ETHYL2(4((Z)2(5AMINO4CYANO1(2HYDROXYETHYL)PYRAZOL3YL)2CYANOETHENYL)2BROMO6ETHOXYPHENOXY)ACETATE
InChI=1SC21H22BrN5O5c133017913(816(22)20(17)321218(29)3142)714(1023)1915(1124)21(25)27(2619)5628h7928H361225H212H3b147+
MFCD01036089
ZINC000008443070
ZINC08443070
ZINC8443070
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