Vitas-M small molecule compound

(2E)-3-[4-(benzyloxy)-5-methoxy-2-nitrophenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide

Catalog ID
STK186118
SMILES N#C/C(=C\c1cc(OC)c(cc1[N+](=O)[O-])OCc1ccccc1)/C(=O)Nc1ccc(cc1)F

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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 C24H18FN3O5 MW 447.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18FN3O5/c1-32-22-12-17(11-18(14-26)24(29)27-20-9-7-19(25)8-10-20)21(28(30)31)13-23(22)33-15-16-5-3-2-4-6-16/h2-13H,15H2,1H3,(H,27,29)/b18-11+
InChIKey
JQVBQTQUQAIZON-WOJGMQOQSA-N
Synonyms

(2E)2CYANON(4FLUOROPHENYL)3(5METHOXY2NITRO4(PHENYLMETHOXY)PHENYL)PROP2ENAMIDE
(2E)3(4(BENZYLOXY)5METHOXY2NITROPHENYL)2CYANON(4FLUOROPHENYL)PROP2ENAMIDE
(E)2CYANON(4FLUOROPHENYL)3(5METHOXY2NITRO4PHENYLMETHOXYPHENYL)PROP2ENAMIDE
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)F)(N+)(=O)(O))OCC3=CC=CC=C3
InChI=1SC24H18FN3O5c132221217(1118(1426)24(29)27209719(25)81020)21(28(30)31)1323(22)3315165324616h213H15H21H3(H2729)b1811+
MFCD02298200
N#CC(=Cc1cc(OC)c(cc1(N+)(=O)(O))OCc1ccccc1)C(=O)Nc1ccc(cc1)F
ZINC000009907390
ZINC09907390
ZINC9907390

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Available files

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