Vitas-M small molecule compound
methyl (5E)-5-[4-(benzyloxy)benzylidene]-1-(3,5-dimethylphenyl)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK837842
SMILES COC(=O)C1=C(C)N(/C(=C/c2ccc(cc2)OCc2ccccc2)/C1=O)c1cc(C)cc(c1)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 C29H27NO4 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO4/c1-19-14-20(2)16-24(15-19)30-21(3)27(29(32)33-4)28(31)26(30)17-22-10-12-25(13-11-22)34-18-23-8-6-5-7-9-23/h5-17H,18H2,1-4H3/b26-17+InChIKey
JOHDVGWIKHZKHB-YZSQISJMSA-NSynonyms
(E)methyl5(4(benzyloxy)benzylidene)1(35dimethylphenyl)2methyl4oxo45dihydro1Hpyrrole3carboxylate
CC1=CC(=CC(=C1)N2C(=C(C(=O)C2=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=Cc2ccc(cc2)OCc2ccccc2)C1=O)c1cc(C)cc(c1)C
InChI=1SC29H27NO4c1191420(2)1624(1519)3021(3)27(29(32)334)28(31)26(30)1722101225(131122)3418238657923h517H18H214H3b2617+
METHYL(5E)1(35DIMETHYLPHENYL)2METHYL4OXO5((4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLE3CARBOXYLATE
methyl(5E)5(4(benzyloxy)benzylidene)1(35dimethylphenyl)2methyl4oxo45dihydro1Hpyrrole3carboxylate
METHYL5(4(BENZYLOXY)BENZYLIDENE)1(35DIMETHYLPHENYL)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01168208
ZINC000008383411
ZINC08383411
ZINC8383411
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