Vitas-M small molecule compound

(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl furan-2-carboxylate

Catalog ID
STK924124
SMILES O=C1/C(=C/c2ccc(cc2)C(C)(C)C)/Oc2c1ccc(c2)OC(=O)c1ccco1

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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 C24H20O5 MW 388.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20O5/c1-24(2,3)16-8-6-15(7-9-16)13-21-22(25)18-11-10-17(14-20(18)29-21)28-23(26)19-5-4-12-27-19/h4-14H,1-3H3/b21-13-
InChIKey
VCTMLRZVEWOFTI-BKUYFWCQSA-N
Synonyms
622361-00-6
((2Z)2((4TERTBUTYLPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)FURAN2CARBOXYLATE
(2Z)2(4tertbutylbenzylidene)3oxo23dihydro1benzofuran6ylfuran2carboxylate
(Z)2(4(tertbutyl)benzylidene)3oxo23dihydrobenzofuran6ylfuran2carboxylate
2((4(TERTBUTYL)PHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLFURAN2CARBOXYLATE
622361006
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CO4
InChI=1SC24H20O5c124(23)168615(7916)132122(25)18111017(1420(18)2921)2823(26)1954122719h414H13H3b2113
MFCD04185202
O=C1C(=Cc2ccc(cc2)C(C)(C)C)Oc2c1ccc(c2)OC(=O)c1ccco1
ZINC000013777652
ZINC13777652

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Available files

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