Vitas-M small molecule compound

4-{(E)-[5-(4-chlorophenyl)-2-oxofuran-3(2H)-ylidene]methyl}-2-methoxy-6-nitrophenyl acetate

Catalog ID
STK197611
SMILES COc1cc(/C=C/2\C=C(OC2=O)c2ccc(cc2)Cl)cc(c1OC(=O)C)[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 C20H14ClNO7 MW 415.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClNO7/c1-11(23)28-19-16(22(25)26)8-12(9-18(19)27-2)7-14-10-17(29-20(14)24)13-3-5-15(21)6-4-13/h3-10H,1-2H3/b14-7+
InChIKey
NLCRYHPAFXXSRQ-VGOFMYFVSA-N
Synonyms

(4((E)(5(4CHLOROPHENYL)2OXOFURAN3YLIDENE)METHYL)2METHOXY6NITROPHENYL)ACETATE
(E)4((5(4chlorophenyl)2oxofuran3(2H)ylidene)methyl)2methoxy6nitrophenylacetate
4((E)(5(4CHLOROPHENYL)2OXOFURAN3(2H)YLIDENE)METHYL)2METHOXY6NITROPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1OC)C=C2C=C(OC2=O)C3=CC=C(C=C3)Cl)(N+)(=O)(O)
COc1cc(C=C2C=C(OC2=O)c2ccc(cc2)Cl)cc(c1OC(=O)C)(N+)(=O)(O)
InChI=1SC20H14ClNO7c111(23)281916(22(25)26)812(918(19)272)7141017(2920(14)24)133515(21)6413h310H12H3b147+
MFCD02629043
ZINC000002305615
ZINC02305615
ZINC2305615

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Available files

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