Vitas-M small molecule compound
(2E)-2-(4-bromophenyl)-3-[5-nitro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enenitrile
Catalog ID
STK292887
SMILES C#CCOc1ccc(cc1/C=C(\c1ccc(cc1)Br)/C#N)[N+](=O)[O-]
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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 C18H11BrN2O3 MW 383.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11BrN2O3/c1-2-9-24-18-8-7-17(21(22)23)11-14(18)10-15(12-20)13-3-5-16(19)6-4-13/h1,3-8,10-11H,9H2/b15-10-InChIKey
RTYTZDMETONISL-GDNBJRDFSA-NSynonyms
(2E)2(4BROMOPHENYL)3(5NITRO2(PROP2YN1YLOXY)PHENYL)PROP2ENENITRILE
(E)2(4BROMOPHENYL)3(5NITRO2PROP2YNOXYPHENYL)PROP2ENENITRILE
C#CCOC1=C(C=C(C=C1)(N+)(=O)(O))C=C(C#N)C2=CC=C(C=C2)Br
C#CCOc1ccc(cc1C=C(c1ccc(cc1)Br)C#N)(N+)(=O)(O)
InChI=1SC18H11BrN2O3c12924188717(21(22)23)1114(18)1015(1220)133516(19)6413h1381011H9H2b1510
MFCD06626025
ZINC000002875850
ZINC02875850
ZINC2875850
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