Vitas-M small molecule compound

(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-nitrobenzoate

Catalog ID
STK847403
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1ccc2c(c1)O/C(=C\c1sccc1C)/C2=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/c1-12-8-9-29-19(12)11-18-20(23)16-7-6-15(10-17(16)28-18)27-21(24)13-2-4-14(5-3-13)22(25)26/h2-11H,1H3/b18-11-
InChIKey
WDZLKFLRZCBTPW-WQRHYEAKSA-N
Synonyms
622366-25-0
((2Z)2((3METHYLTHIOPHEN2YL)METHYLIDENE)3OXO1BENZOFURAN6YL)4NITROBENZOATE
(2Z)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6yl4nitrobenzoate
(Z)2((3methylthiophen2yl)methylene)3oxo23dihydrobenzofuran6yl4nitrobenzoate
2((3METHYL(2THIENYL))METHYLENE)3OXOBENZO(34B)FURAN6YL4NITROBENZOATE
622366250
CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H13NO6Sc112892919(12)111820(23)167615(1017(16)2818)2721(24)132414(5313)22(25)26h211H1H3b1811
MFCD04188352
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1ccc2c(c1)OC(=Cc1sccc1C)C2=O
ZINC000013778474
ZINC13778474

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Available files

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