Vitas-M small molecule compound

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

Catalog ID
STK923870
SMILES O=C1/C(=C/c2ccccc2)/Oc2c1ccc(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 C23H14O6 MW 386.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14O6/c24-22-17-8-7-16(12-19(17)29-21(22)10-14-4-2-1-3-5-14)28-23(25)15-6-9-18-20(11-15)27-13-26-18/h1-12H,13H2/b21-10-
InChIKey
JAUBWJQZRNJKFD-FBHDLOMBSA-N
Synonyms
858770-46-4
((2Z)2BENZYLIDENE3OXO1BENZOFURAN6YL)13BENZODIOXOLE5CARBOXYLATE
(2Z)2benzylidene3oxo23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)2benzylidene3oxo23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
3OXO2(PHENYLMETHYLENE)BENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLANE5CARBOXYLATE
858770464
C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC=CC=C5)O4
InChI=1SC23H14O6c2422178716(1219(17)2921(22)10144213514)2823(25)15691820(1115)27132618h112H13H2b2110
MFCD04146096
O=C1C(=Cc2ccccc2)Oc2c1ccc(c2)OC(=O)c1ccc2c(c1)OCO2
ZINC000002105025
ZINC02105025
ZINC2105025

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Available files

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