Vitas-M small molecule compound
(2E)-3-[3,5-dibromo-2-(propan-2-yloxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STL431262
SMILES N#C/C(=C\c1cc(Br)cc(c1OC(C)C)Br)/c1[nH]c2c(n1)ccc(c2)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 C20H17Br2N3O MW 475.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Br2N3O/c1-11(2)26-19-13(8-15(21)9-16(19)22)7-14(10-23)20-24-17-5-4-12(3)6-18(17)25-20/h4-9,11H,1-3H3,(H,24,25)/b14-7+InChIKey
RKWFYNZWGUBQDY-VGOFMYFVSA-NSynonyms
(2E)3(35dibromo2(propan2yloxy)phenyl)2(6methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(35DIBROMO2PROPAN2YLOXYPHENYL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=CC(=C3OC(C)C)Br)Br)C#N
InChI=1SC20H17Br2N3Oc111(2)261913(815(21)916(19)22)714(1023)2024175412(3)618(17)2520h4911H13H3(H2425)b147+
MFCD01446297
N#CC(=Cc1cc(Br)cc(c1OC(C)C)Br)c1(nH)c2c(n1)ccc(c2)C
ZINC000032099439
ZINC32099439
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