Vitas-M small molecule compound

(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzenesulfonate

Catalog ID
STK852601
SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)/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 C21H15NO6S MW 409.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO6S/c1-26-15-4-7-17(8-5-15)29(24,25)28-16-6-9-18-19(12-16)27-20(21(18)23)11-14-3-2-10-22-13-14/h2-13H,1H3/b20-11-
InChIKey
GYIDEMIYLSMCMO-JAIQZWGSSA-N
Synonyms
1164521-18-9
((2Z)3OXO2(PYRIDIN3YLMETHYLIDENE)1BENZOFURAN6YL)4METHOXYBENZENESULFONATE
(2Z)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6yl4methoxybenzenesulfonate
(Z)3oxo2(pyridin3ylmethylene)23dihydrobenzofuran6yl4methoxybenzenesulfonate
1164521189
3OXO2(3PYRIDYLMETHYLENE)BENZO(34B)FURAN6YL4METHOXYBENZENESULFONATE
4METHOXYBENZENESULFONICACID3OXO2(1PYRIDIN3YLMETH(Z)YLIDENE)23DIHYDROBENZOFURAN6YLESTER
COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN=CC=C4)O3
COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)OC(=Cc1cccnc1)C2=O
InChI=1SC21H15NO6Sc126154717(8515)29(2425)2816691819(1216)2720(21(18)23)11143210221314h213H1H3b2011
MFCD06599880
ZINC000005370152
ZINC05370152
ZINC5370152

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Available files

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