Vitas-M small molecule compound

(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate

Catalog ID
STK923464
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OC(=O)c2ccc(cc2)C(C)(C)C)cc(c1OC)OC

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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 C29H28O7 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28O7/c1-29(2,3)19-9-7-18(8-10-19)28(31)35-20-11-12-21-22(16-20)36-23(26(21)30)13-17-14-24(32-4)27(34-6)25(15-17)33-5/h7-16H,1-6H3/b23-13-
InChIKey
POXCDQNGAHXIEU-QRVIBDJDSA-N
Synonyms
858765-89-6
((2Z)3OXO2((345TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)4TERTBUTYLBENZOATE
(2Z)3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6yl4tertbutylbenzoate
(Z)3oxo2(345trimethoxybenzylidene)23dihydrobenzofuran6yl4(tertbutyl)benzoate
3OXO2((345TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YL4(TERTBUTYL)BENZOATE
858765896
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=C(C(=C4)OC)OC)OC)O3
COc1cc(C=C2Oc3c(C2=O)ccc(c3)OC(=O)c2ccc(cc2)C(C)(C)C)cc(c1OC)OC
InChI=1SC29H28O7c129(23)199718(81019)28(31)352011122122(1620)3623(26(21)30)13171424(324)27(346)25(1517)335h716H16H3b2313
MFCD04144809
ZINC000008917835
ZINC08917835
ZINC8917835

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Available files

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