Vitas-M small molecule compound

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

Catalog ID
STL055809
SMILES COc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccccc1

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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 C34H29NO7 MW 563.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29NO7/c1-39-28-18-24(12-14-26(28)42-21-23-10-6-3-7-11-23)31-30(32(36)25-13-15-27-29(19-25)41-17-16-40-27)33(37)34(38)35(31)20-22-8-4-2-5-9-22/h2-15,18-19,31,36H,16-17,20-21H2,1H3/b32-30+
InChIKey
KABSVXYFMBURGW-NHQGMKOOSA-N
Synonyms

(4E)1BENZYL4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3METHOXY4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)1benzyl5(4(benzyloxy)3methoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
COC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CC=C5)OCC6=CC=CC=C6
COc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC34H29NO7c139281824(121426(28)422123106371123)3130(32(36)2513152729(1925)4117164027)33(37)34(38)35(31)20228425922h21518193136H16172021H21H3b3230+
MFCD05730924
ZINC000102895115
ZINC000102895117

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Available files

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