Vitas-M small molecule compound

(2E,5E)-2,5-bis[4-(benzyloxy)-3-iodo-5-methoxybenzylidene]cyclopentanone

Catalog ID
STL174116
SMILES COc1cc(/C=C/2\CC/C(=C\c3cc(I)c(c(c3)OC)OCc3ccccc3)/C2=O)cc(c1OCc1ccccc1)I

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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 C35H30I2O5 MW 784.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30I2O5/c1-39-31-19-25(17-29(36)34(31)41-21-23-9-5-3-6-10-23)15-27-13-14-28(33(27)38)16-26-18-30(37)35(32(20-26)40-2)42-22-24-11-7-4-8-12-24/h3-12,15-20H,13-14,21-22H2,1-2H3/b27-15+,28-16+
InChIKey
DSFPGCXIMBYMES-DPCVLPDWSA-N
Synonyms
678145-84-1
(2E5E)25bis((3iodo5methoxy4phenylmethoxyphenyl)methylidene)cyclopentan1one
(2E5E)25bis(4(benzyloxy)3iodo5methoxybenzylidene)cyclopentanone
678145841
COC1=C(C(=CC(=C1)C=C2CCC(=CC3=CC(=C(C(=C3)I)OCC4=CC=CC=C4)OC)C2=O)I)OCC5=CC=CC=C5
COc1cc(C=C2CCC(=Cc3cc(I)c(c(c3)OC)OCc3ccccc3)C2=O)cc(c1OCc1ccccc1)I
InChI=1SC35H30I2O5c139311925(1729(36)34(31)41212395361023)1527131428(33(27)38)16261830(37)35(32(2026)402)422224117481224h3121520H13142122H212H3b2715+2816+
MFCD02371325
ZINC000150480957
ZINC150480957

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Available files

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