Vitas-M small molecule compound
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-chlorobenzenesulfonate
Catalog ID
STK992385
SMILES Clc1ccc(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 C22H13ClO7S MW 456.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClO7S/c23-14-2-5-16(6-3-14)31(25,26)30-15-4-7-17-19(11-15)29-21(22(17)24)10-13-1-8-18-20(9-13)28-12-27-18/h1-11H,12H2/b21-10-InChIKey
GHRGXPIBKBMLES-FBHDLOMBSA-NSynonyms
929413-22-9((2Z)2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)4chlorobenzenesulfonate
(2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl4chlorobenzenesulfonate
(Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl4chlorobenzenesulfonate
2(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)3OXOBENZO(34B)FURAN6YL4CHLOROBENZENESULFONATE
929413229
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
InChI=1SC22H13ClO7Sc23142516(6314)31(2526)3015471719(1115)2921(22(17)24)1013181820(913)28122718h111H12H2b2110
MFCD09846285
ZINC000009575270
ZINC09575270
ZINC9575270
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