Vitas-M small molecule compound

(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate

Catalog ID
STK630589
SMILES O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(cc1)C(C)(C)C)/C2=O)/C=C/c1ccccc1

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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 C28H24O4 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24O4/c1-28(2,3)21-12-9-20(10-13-21)17-25-27(30)23-15-14-22(18-24(23)32-25)31-26(29)16-11-19-7-5-4-6-8-19/h4-18H,1-3H3/b16-11+,25-17-
InChIKey
SZHQKUZZMNTCRS-FQIHTKLKSA-N
Synonyms
622790-84-5
((2Z)2((4TERTBUTYLPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)(E)3PHENYLPROP2ENOATE
(2Z)2(4tertbutylbenzylidene)3oxo23dihydro1benzofuran6yl(2E)3phenylprop2enoate
(Z)2(4(tertbutyl)benzylidene)3oxo23dihydrobenzofuran6ylcinnamate
2((4(TERTBUTYL)PHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL(2E)3PHENYLPROP2ENOATE
622790845
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C=CC4=CC=CC=C4
InChI=1SC28H24O4c128(23)2112920(101321)172527(30)23151422(1824(23)3225)3126(29)1611197546819h418H13H3b1611+2517
MFCD04158463
O=C(Oc1ccc2c(c1)OC(=Cc1ccc(cc1)C(C)(C)C)C2=O)C=Cc1ccccc1
ZINC000009183990
ZINC09183990
ZINC9183990

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Available files

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