Vitas-M small molecule compound
(2Z)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-cyanoprop-2-enamide
Catalog ID
STK473095
SMILES CCCOc1c(Br)cc(cc1OC)/C=C(\C(=O)NCc1ccc2c(c1)OCO2)/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/c1-3-6-28-21-17(23)8-15(10-20(21)27-2)7-16(11-24)22(26)25-12-14-4-5-18-19(9-14)30-13-29-18/h4-5,7-10H,3,6,12-13H2,1-2H3,(H,25,26)/b16-7-InChIKey
YXHGRENFYHQFKB-APSNUPSMSA-NSynonyms
(2Z)N(13benzodioxol5ylmethyl)3(3bromo5methoxy4propoxyphenyl)2cyanoprop2enamide
(2Z)N(2HBENZO(34D)13DIOXOLAN5YLMETHYL)3(3BROMO5METHOXY4PROPOXYPHENYL)2CYANOPROP2ENAMIDE
(Z)N(13benzodioxol5ylmethyl)3(3bromo5methoxy4propoxyphenyl)2cyanoprop2enamide
CCCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)OC
CCCOc1c(Br)cc(cc1OC)C=C(C(=O)NCc1ccc2c(c1)OCO2)C#N
InChI=1SC22H21BrN2O5c136282117(23)815(1020(21)272)716(1124)22(26)251214451819(914)30132918h45710H361213H212H3(H2526)b167
MFCD07092756
ZINC000020572784
ZINC20572784
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