Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(3-iodophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 3-nitrobenzoate
Catalog ID
STK379332
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1cccc(c1)[N+](=O)[O-])/C(=O)Nc1cccc(c1)I
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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 C23H14IN3O5 MW 539.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14IN3O5/c24-18-4-2-5-19(13-18)26-22(28)17(14-25)11-15-7-9-21(10-8-15)32-23(29)16-3-1-6-20(12-16)27(30)31/h1-13H,(H,26,28)/b17-11+InChIKey
YGOZLIBPGJJLCE-GZTJUZNOSA-NSynonyms
(4((E)2CYANO3(3IODOANILINO)3OXOPROP1ENYL)PHENYL)3NITROBENZOATE
4((1E)2CYANO2(N(3IODOPHENYL)CARBAMOYL)VINYL)PHENYL3NITROBENZOATE
4((1E)2cyano3((3iodophenyl)amino)3oxoprop1en1yl)phenyl3nitrobenzoate
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)I
InChI=1SC23H14IN3O5c241842519(1318)2622(28)17(1425)11157921(10815)3223(29)1631620(1216)27(30)31h113H(H2628)b1711+
MFCD02104121
N#CC(=Cc1ccc(cc1)OC(=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1cccc(c1)I
ZINC000100480832
ZINC100480832
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