Vitas-M small molecule compound
(4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-methoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL056125
SMILES COc1cc(ccc1OCCC(C)C)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 C32H33NO7 MW 543.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33NO7/c1-20(2)13-14-38-24-11-9-22(17-26(24)37-3)29-28(30(34)23-10-12-25-27(18-23)40-16-15-39-25)31(35)32(36)33(29)19-21-7-5-4-6-8-21/h4-12,17-18,20,29,34H,13-16,19H2,1-3H3/b30-28+InChIKey
PEHVTWJHWLCKCV-SJCQXOIGSA-NSynonyms
585552-46-1(4E)1benzyl4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3methoxy4(3methylbutoxy)phenyl)pyrrolidine23dione
585552461
CC(C)CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CC=C5)OC
COc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC32H33NO7c120(2)1314382411922(1726(24)373)2928(30(34)2310122527(1823)4016153925)31(35)32(36)33(29)19217546821h4121718202934H131619H213H3b3028+
MFCD05732819
ZINC000102895483
ZINC000102895486
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