Vitas-M small molecule compound

(2Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chlorobenzoate

Catalog ID
STK568868
SMILES O=C1/C(=C/c2cccc(c2)[N+](=O)[O-])/Oc2c1ccc(c2)OC(=O)c1ccccc1Cl

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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 C22H12ClNO6 MW 421.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12ClNO6/c23-18-7-2-1-6-16(18)22(26)29-15-8-9-17-19(12-15)30-20(21(17)25)11-13-4-3-5-14(10-13)24(27)28/h1-12H/b20-11-
InChIKey
FCCVNBRFUIEOIN-JAIQZWGSSA-N
Synonyms
714254-81-6
((2Z)2((3NITROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)2CHLOROBENZOATE
(2Z)2(3nitrobenzylidene)3oxo23dihydro1benzofuran6yl2chlorobenzoate
(Z)2(3nitrobenzylidene)3oxo23dihydrobenzofuran6yl2chlorobenzoate
2((3NITROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL2CHLOROBENZOATE
714254816
C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))O3)Cl
InChI=1SC22H12ClNO6c2318721616(18)22(26)2915891719(1215)3020(21(17)25)111343514(1013)24(27)28h112Hb2011
MFCD04157270
O=C1C(=Cc2cccc(c2)(N+)(=O)(O))Oc2c1ccc(c2)OC(=O)c1ccccc1Cl
ZINC000009192299
ZINC09192299
ZINC9192299

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Available files

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