Vitas-M small molecule compound
methyl (5E)-5-[4-(benzyloxy)benzylidene]-2-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK804850
SMILES COC(=O)C1=C(C)N(/C(=C/c2ccc(cc2)OCc2ccccc2)/C1=O)c1ccccc1
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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 C27H23NO4 MW 425.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO4/c1-19-25(27(30)31-2)26(29)24(28(19)22-11-7-4-8-12-22)17-20-13-15-23(16-14-20)32-18-21-9-5-3-6-10-21/h3-17H,18H2,1-2H3/b24-17+InChIKey
HGAINDXZJVTMOM-JJIBRWJFSA-NSynonyms
(E)methyl5(4(benzyloxy)benzylidene)2methyl4oxo1phenyl45dihydro1Hpyrrole3carboxylate
CC1=C(C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)N1C4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N(C(=Cc2ccc(cc2)OCc2ccccc2)C1=O)c1ccccc1
InChI=1SC27H23NO4c11925(27(30)312)26(29)24(28(19)22117481222)1720131523(161420)32182195361021h317H18H212H3b2417+
METHYL(5E)2METHYL4OXO1PHENYL5((4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLE3CARBOXYLATE
methyl(5E)5(4(benzyloxy)benzylidene)2methyl4oxo1phenyl45dihydro1Hpyrrole3carboxylate
MFCD01987826
ZINC000008450423
ZINC08450423
ZINC8450423
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