Vitas-M small molecule compound

(2Z)-N-(4-bromophenyl)-2-cyano-3-(2,3-dibromo-4,5-dihydroxyphenyl)prop-2-enamide - ethane (1:1)

Catalog ID
STK183161
SMILES N#C/C(=C/c1cc(O)c(c(c1Br)Br)O)/C(=O)Nc1ccc(cc1)Br.CC

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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 C18H15Br3N2O3 MW 547.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9Br3N2O3.C2H6/c17-10-1-3-11(4-2-10)21-16(24)9(7-20)5-8-6-12(22)15(23)14(19)13(8)18;1-2/h1-6,22-23H,(H,21,24);1-2H3/b9-5-;
InChIKey
FJLZOHDQHWNTBZ-UYTGOYFPSA-N
Synonyms

(2Z)N(4BROMOPHENYL)2CYANO3(23DIBROMO45DIHYDROXYPHENYL)PROP2ENAMIDEETHANE(11)
(Z)N(4bromophenyl)2cyano3(23dibromo45dihydroxyphenyl)prop2enamideethane
CCC1=CC(=CC=C1NC(=O)C(=CC2=CC(=C(C(=C2Br)Br)O)O)C#N)Br
InChI=1SC16H9Br3N2O3C2H6c17101311(4210)2116(24)9(720)58612(22)15(23)14(19)13(8)1812h162223H(H2124)12H3b95
MFCD04580036
N#CC(=Cc1cc(O)c(c(c1Br)Br)O)C(=O)Nc1ccc(cc1)BrCC
ZINC000097966250

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Available files

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