Vitas-M small molecule compound
(2-bromo-4-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-6-iodophenoxy)acetic acid
Catalog ID
STK185249
SMILES N#C/C(=C\c1cc(Br)c(c(c1)I)OCC(=O)O)/C(=O)Nc1ccc(c(c1)Cl)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 C19H13BrClIN2O4 MW 575.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13BrClIN2O4/c1-10-2-3-13(7-15(10)21)24-19(27)12(8-23)4-11-5-14(20)18(16(22)6-11)28-9-17(25)26/h2-7H,9H2,1H3,(H,24,27)(H,25,26)/b12-4+InChIKey
TWIOZOPXCXPSNF-UUILKARUSA-NSynonyms
(2BROMO4((1E)3((3CHLORO4METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)6IODOPHENOXY)ACETICACID
2(2bromo4((E)3(3chloro4methylanilino)2cyano3oxoprop1enyl)6iodophenoxy)aceticacid
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)I)OCC(=O)O)Br)C#N)Cl
InChI=1SC19H13BrClIN2O4c1102313(715(10)21)2419(27)12(823)411514(20)18(16(22)611)28917(25)26h27H9H21H3(H2427)(H2526)b124+
MFCD03729379
N#CC(=Cc1cc(Br)c(c(c1)I)OCC(=O)O)C(=O)Nc1ccc(c(c1)Cl)C
ZINC000097960761
ZINC97960761
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