Vitas-M small molecule compound
(2Z)-3-(2-bromo-5-methoxy-4-propoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Catalog ID
STK467332
SMILES CCCOc1cc(Br)c(cc1OC)/C=C(\C(=O)Nc1ccc2c(c1)OCCO2)/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 C22H21BrN2O5 MW 473.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O5/c1-3-6-28-21-12-17(23)14(10-19(21)27-2)9-15(13-24)22(26)25-16-4-5-18-20(11-16)30-8-7-29-18/h4-5,9-12H,3,6-8H2,1-2H3,(H,25,26)/b15-9-InChIKey
PAWLMWHWDWLKLL-DHDCSXOGSA-NSynonyms
(2Z)3(2bromo5methoxy4propoxyphenyl)2cyanoN(23dihydro14benzodioxin6yl)prop2enamide
(Z)3(2bromo5methoxy4propoxyphenyl)2cyanoN(23dihydro14benzodioxin6yl)prop2enamide
CCCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)OC
CCCOc1cc(Br)c(cc1OC)C=C(C(=O)Nc1ccc2c(c1)OCCO2)C#N
InChI=1SC22H21BrN2O5c13628211217(23)14(1019(21)272)915(1324)22(26)2516451820(1116)30872918h45912H368H212H3(H2526)b159
MFCD09594447
N(2H3HBENZO(34E)14DIOXAN6YL)(2Z)3(2BROMO5METHOXY4PROPOXYPHENYL)2CYANOPROP2ENAMIDE
ZINC000032577088
ZINC32577088
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