Vitas-M small molecule compound
(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3-nitrobenzoate
Catalog ID
STK847796
SMILES O=C1/C(=C/c2sccc2C)/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 C21H13NO6S MW 407.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13NO6S/c1-12-7-8-29-19(12)11-18-20(23)16-6-5-15(10-17(16)28-18)27-21(24)13-3-2-4-14(9-13)22(25)26/h2-11H,1H3/b18-11-InChIKey
MTCOKVBDMXYINE-WQRHYEAKSA-NSynonyms
622366-49-8((2Z)2((3METHYLTHIOPHEN2YL)METHYLIDENE)3OXO1BENZOFURAN6YL)3NITROBENZOATE
(2Z)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6yl3nitrobenzoate
(Z)2((3methylthiophen2yl)methylene)3oxo23dihydrobenzofuran6yl3nitrobenzoate
2((3METHYL(2THIENYL))METHYLENE)3OXOBENZO(34B)FURAN6YL3NITROBENZOATE
622366498
CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H13NO6Sc112782919(12)111820(23)166515(1017(16)2818)2721(24)1332414(913)22(25)26h211H1H3b1811
MFCD04195290
O=C1C(=Cc2sccc2C)Oc2c1ccc(c2)OC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000005346645
ZINC05346645
ZINC5346645
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