Vitas-M small molecule compound
(4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL057299
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1Cc1ccccc1)C
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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 C31H31NO6 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO6/c1-20(2)13-14-36-24-10-6-9-22(17-24)28-27(29(33)23-11-12-25-26(18-23)38-16-15-37-25)30(34)31(35)32(28)19-21-7-4-3-5-8-21/h3-12,17-18,20,28,33H,13-16,19H2,1-2H3/b29-27+InChIKey
HINXIMGUQRQBTO-ORIPQNMZSA-NSynonyms
586986-22-3(4E)1benzyl4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
586986223
CC(C)CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=CC=C5
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1Cc1ccccc1)C
InChI=1SC31H31NO6c120(2)13143624106922(1724)2827(29(33)2311122526(1823)3816153725)30(34)31(35)32(28)19217435821h3121718202833H131619H212H3b2927+
MFCD05733756
ZINC000102076762
ZINC000102076766
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