Vitas-M small molecule compound
(4E)-5-[3-(benzyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Catalog ID
STL049496
SMILES COCCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cccc(c1)OCc1ccccc1
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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/c1-20-16-24-17-23(12-13-26(24)38-20)29(33)27-28(32(14-7-15-36-2)31(35)30(27)34)22-10-6-11-25(18-22)37-19-21-8-4-3-5-9-21/h3-6,8-13,17-18,20,28,33H,7,14-16,19H2,1-2H3/b29-27+InChIKey
NSYMHDCOSXHFKB-ORIPQNMZSA-NSynonyms
877647-23-9(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3METHOXYPROPYL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(3methoxypropyl)pyrrolidine23dione
877647239
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCOC)C4=CC(=CC=C4)OCC5=CC=CC=C5)O
COCCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cccc(c1)OCc1ccccc1
InChI=1SC31H31NO6c12016241723(121326(24)3820)29(33)2728(32(14715362)31(35)30(27)34)221061125(1822)3719218435921h368131718202833H7141619H212H3b2927+
MFCD05729368
ZINC000102885552
ZINC000102885558
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