Vitas-M small molecule compound
(2Z)-N-benzyl-3-[2-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-cyanoprop-2-enamide
Catalog ID
STK186510
SMILES COc1cc(/C=C(\C(=O)NCc2ccccc2)/C#N)c(cc1OCC=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 C21H19BrN2O3 MW 427.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O3/c1-3-9-27-20-12-18(22)16(11-19(20)26-2)10-17(13-23)21(25)24-14-15-7-5-4-6-8-15/h3-8,10-12H,1,9,14H2,2H3,(H,24,25)/b17-10-InChIKey
NIDLDOYYOVFBLR-YVLHZVERSA-NSynonyms
(2Z)NBENZYL3(2BROMO5METHOXY4(PROP2EN1YLOXY)PHENYL)2CYANOPROP2ENAMIDE
(Z)Nbenzyl3(2bromo5methoxy4prop2enoxyphenyl)2cyanoprop2enamide
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)Br)OCC=C
COc1cc(C=C(C(=O)NCc2ccccc2)C#N)c(cc1OCC=C)Br
InChI=1SC21H19BrN2O3c13927201218(22)16(1119(20)262)1017(1323)21(25)2414157546815h381012H1914H22H3(H2425)b1710
MFCD02084671
ZINC000009311024
ZINC09311024
ZINC9311024
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