Vitas-M small molecule compound

(2E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamide

Catalog ID
STL382722
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-])/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 C21H13ClN4O6 MW 452.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN4O6/c1-12-8-14(25(28)29)2-5-17(12)20-7-4-16(32-20)9-13(11-23)21(27)24-19-6-3-15(26(30)31)10-18(19)22/h2-10H,1H3,(H,24,27)/b13-9+
InChIKey
NRQGBFQPHZPKPP-UKTHLTGXSA-N
Synonyms

(2E)N(2CHLORO4NITROPHENYL)2CYANO3(5(2METHYL4NITROPHENYL)(2FURYL))PROP2ENAMIDE
(2E)N(2chloro4nitrophenyl)2cyano3(5(2methyl4nitrophenyl)furan2yl)prop2enamide
(E)N(2CHLORO4NITROPHENYL)2CYANO3(5(2METHYL4NITROPHENYL)FURAN2YL)PROP2ENAMIDE
CC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC21H13ClN4O6c112814(25(28)29)2517(12)207416(3220)913(1123)21(27)24196315(26(30)31)1018(19)22h210H1H3(H2427)b139+
MFCD02731668
N#CC(=Cc1ccc(o1)c1ccc(cc1C)(N+)(=O)(O))C(=O)Nc1ccc(cc1Cl)(N+)(=O)(O)
ZINC000009057402
ZINC09057402
ZINC9057402

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Available files

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