Vitas-M small molecule compound

(2Z)-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate

Catalog ID
STK923836
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc2c(c1)OCO2

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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 C25H16O8 MW 444.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16O8/c1-29-24(27)15-4-2-14(3-5-15)10-22-23(26)18-8-7-17(12-20(18)33-22)32-25(28)16-6-9-19-21(11-16)31-13-30-19/h2-12H,13H2,1H3/b22-10-
InChIKey
JRQNSOQZYLAOPO-YVNNLAQVSA-N
Synonyms
858764-13-3
((2Z)2((4METHOXYCARBONYLPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)13BENZODIOXOLE5CARBOXYLATE
(2Z)2(4(methoxycarbonyl)benzylidene)3oxo23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)2(4(methoxycarbonyl)benzylidene)3oxo23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
2((4(METHOXYCARBONYL)PHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLANE5CARBOXYLATE
858764133
COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1ccc2c(c1)OCO2
InChI=1SC25H16O8c12924(27)154214(3515)102223(26)188717(1220(18)3322)3225(28)16691921(1116)31133019h212H13H21H3b2210
MFCD04143808
ZINC000002155488
ZINC02155488
ZINC2155488

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.