Vitas-M small molecule compound
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate
Catalog ID
STK925676
SMILES O=C1/C(=C/c2ccc3c(c2)OCO3)/Oc2c1ccc(c2)OC(=O)c1ccc(cc1)C(C)(C)C
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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 C27H22O6 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22O6/c1-27(2,3)18-7-5-17(6-8-18)26(29)32-19-9-10-20-22(14-19)33-24(25(20)28)13-16-4-11-21-23(12-16)31-15-30-21/h4-14H,15H2,1-3H3/b24-13-InChIKey
DFZSSNONVFSAFH-CFRMEGHHSA-NSynonyms
929390-75-0((2Z)2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)4tertbutylbenzoate
(2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl4tertbutylbenzoate
(Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl4(tertbutyl)benzoate
2(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)3OXOBENZO(34B)FURAN6YL4(TERTBUTYL)BENZOATE
929390750
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3
InChI=1SC27H22O6c127(23)187517(6818)26(29)32199102022(1419)3324(25(20)28)13164112123(1216)31153021h414H15H213H3b2413
MFCD08747654
O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc(c2)OC(=O)c1ccc(cc1)C(C)(C)C
ZINC000009306416
ZINC09306416
ZINC9306416
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