Vitas-M small molecule compound

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzenesulfonate

Catalog ID
STK992543
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/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 C23H16O7S MW 436.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16O7S/c1-14-2-6-17(7-3-14)31(25,26)30-16-5-8-18-20(12-16)29-22(23(18)24)11-15-4-9-19-21(10-15)28-13-27-19/h2-12H,13H2,1H3/b22-11-
InChIKey
DVRBQZFZKIHNJG-JJFYIABZSA-N
Synonyms
929456-25-7
((2Z)2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)4methylbenzenesulfonate
(2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl4methylbenzenesulfonate
(Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl4methylbenzenesulfonate
2(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)3OXOBENZO(34B)FURAN6YL4METHYLBENZENESULFONATE
929456257
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3
Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
InChI=1SC23H16O7Sc1142617(7314)31(2526)3016581820(1216)2922(23(18)24)1115491921(1015)28132719h212H13H21H3b2211
MFCD09847097
ZINC000013655087
ZINC13655087

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Available files

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