Vitas-M small molecule compound
(4E)-1-benzyl-5-(4-butoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK560687
SMILES CCCCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\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 C31H31NO5 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO5/c1-3-4-16-36-25-13-10-22(11-14-25)28-27(29(33)23-12-15-26-24(18-23)17-20(2)37-26)30(34)31(35)32(28)19-21-8-6-5-7-9-21/h5-15,18,20,28,33H,3-4,16-17,19H2,1-2H3/b29-27+InChIKey
ARMNLCNGJIXLCO-ORIPQNMZSA-NSynonyms
848918-36-5(4E)1benzyl5(4butoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
848918365
CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CC5=CC=CC=C5
CCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1Cc1ccccc1
InChI=1SC31H31NO5c134163625131022(111425)2827(29(33)2312152624(1823)1720(2)3726)30(34)31(35)32(28)19218657921h51518202833H34161719H212H3b2927+
MFCD04076201
ZINC000102498054
ZINC000102643172
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