Vitas-M small molecule compound
(2Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[1-(2,5-dimethylphenyl)ethyl]prop-2-enamide
Catalog ID
STK453992
SMILES N#C/C(=C/c1cc2OCOc2cc1Br)/C(=O)NC(c1cc(C)ccc1C)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 C21H19BrN2O3 MW 427.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O3/c1-12-4-5-13(2)17(6-12)14(3)24-21(25)16(10-23)7-15-8-19-20(9-18(15)22)27-11-26-19/h4-9,14H,11H2,1-3H3,(H,24,25)/b16-7-InChIKey
IZHZCYWYKVMDHM-APSNUPSMSA-NSynonyms
(2Z)3(6bromo13benzodioxol5yl)2cyanoN(1(25dimethylphenyl)ethyl)prop2enamide
(2Z)N((25DIMETHYLPHENYL)ETHYL)3(6BROMO(2HBENZO(D)13DIOXOLAN5YL))2CYANOPROP2ENAMIDE
(Z)3(6bromo13benzodioxol5yl)2cyanoN(1(25dimethylphenyl)ethyl)prop2enamide
CC1=CC(=C(C=C1)C)C(C)NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N
InChI=1SC21H19BrN2O3c1124513(2)17(612)14(3)2421(25)16(1023)71581920(918(15)22)27112619h4914H11H213H3(H2425)b167
MFCD04226598
N#CC(=Cc1cc2OCOc2cc1Br)C(=O)NC(c1cc(C)ccc1C)C
ZINC000017095289
ZINC000017095290
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