Vitas-M small molecule compound

(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide

Catalog ID
STL382705
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1)/C(=O)Nc1ccc(cc1Cl)[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 C24H18ClN3O5 MW 463.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O5/c1-32-23-12-17(7-10-22(23)33-15-16-5-3-2-4-6-16)11-18(14-26)24(29)27-21-9-8-19(28(30)31)13-20(21)25/h2-13H,15H2,1H3,(H,27,29)/b18-11+
InChIKey
ANAKIYNJAADPAS-WOJGMQOQSA-N
Synonyms

(2E)3(4(benzyloxy)3methoxyphenyl)N(2chloro4nitrophenyl)2cyanoprop2enamide
(2E)N(2CHLORO4NITROPHENYL)2CYANO3(3METHOXY4(PHENYLMETHOXY)PHENYL)PROP2ENAMIDE
(E)N(2CHLORO4NITROPHENYL)2CYANO3(3METHOXY4PHENYLMETHOXYPHENYL)PROP2ENAMIDE
3(4BENZYLOXY3METHOXYPHENYL)N(2CHLORO4NITROPHENYL)2CYANOACRYLAMIDE
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))Cl)OCC3=CC=CC=C3
InChI=1SC24H18ClN3O5c132231217(71022(23)3315165324616)1118(1426)24(29)27219819(28(30)31)1320(21)25h213H15H21H3(H2729)b1811+
MFCD02731837
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1)C(=O)Nc1ccc(cc1Cl)(N+)(=O)(O)
ZINC000013388157
ZINC13388157

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Available files

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