Vitas-M small molecule compound

(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 3-nitrobenzoate

Catalog ID
STK923819
SMILES O=C1/C(=C/c2cccs2)/Oc2c1ccc(c2)OC(=O)c1cccc(c1)[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 C20H11NO6S MW 393.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11NO6S/c22-19-16-7-6-14(10-17(16)27-18(19)11-15-5-2-8-28-15)26-20(23)12-3-1-4-13(9-12)21(24)25/h1-11H/b18-11-
InChIKey
TVAGYOGGBQAZGS-WQRHYEAKSA-N
Synonyms
714289-66-4
((2Z)3OXO2(THIOPHEN2YLMETHYLIDENE)1BENZOFURAN6YL)3NITROBENZOATE
(2Z)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6yl3nitrobenzoate
(Z)3oxo2(thiophen2ylmethylene)23dihydrobenzofuran6yl3nitrobenzoate
3OXO2(2THIENYLMETHYLENE)BENZO(34B)FURAN6YL3NITROBENZOATE
714289664
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CS4)O3
InChI=1SC20H11NO6Sc2219167614(1017(16)2718(19)11155282815)2620(23)1231413(912)21(24)25h111Hb1811
MFCD04155016
O=C1C(=Cc2cccs2)Oc2c1ccc(c2)OC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000005139539
ZINC05139539
ZINC5139539

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.