Vitas-M small molecule compound

(4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione

Catalog ID
STL042165
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccco1

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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 C33H29NO8 MW 567.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29NO8/c1-2-38-27-17-22(10-12-26(27)42-20-21-7-4-3-5-8-21)30-29(32(36)33(37)34(30)19-24-9-6-14-39-24)31(35)23-11-13-25-28(18-23)41-16-15-40-25/h3-14,17-18,30,35H,2,15-16,19-20H2,1H3/b31-29+
InChIKey
JNJNJUAKQDAUNX-OWWNRXNESA-N
Synonyms

(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PHENYLMETHOXYPHENYL)1(FURAN2YLMETHYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3ethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(furan2ylmethyl)pyrrolidine23dione
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CO5)OCC6=CC=CC=C6
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccco1
InChI=1SC33H29NO8c1238271722(101226(27)4220217435821)3029(32(36)33(37)34(30)192496143924)31(35)2311132528(1823)4116154025h31417183035H215161920H21H3b3129+
MFCD05733595
ZINC000102869629
ZINC000102869632

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Available files

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