Vitas-M small molecule compound
methyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK838075
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C/c1ccc2c(c1)OCO2)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 C21H17NO5 MW 363.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO5/c1-13-19(21(24)25-2)16(20(23)22(13)15-6-4-3-5-7-15)10-14-8-9-17-18(11-14)27-12-26-17/h3-11H,12H2,1-2H3/b16-10+InChIKey
SMKFWZJEBTZTAF-MHWRWJLKSA-NSynonyms
(E)methyl4(benzo(d)(13)dioxol5ylmethylene)2methyl5oxo1phenyl45dihydro1Hpyrrole3carboxylate
4BENZO(13)DIOXOL5YLMETHYLENE2METHYL5OXO1PHENYL45DIHYDRO1HPYRROLE3CARBOXYLICACIDMETHYLESTER
CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc2c(c1)OCO2)c1ccccc1
InChI=1SC21H17NO5c11319(21(24)252)16(20(23)22(13)156435715)1014891718(1114)27122617h311H12H212H3b1610+
METHYL(4E)4(13BENZODIOXOL5YLMETHYLENE)2METHYL5OXO1PHENYL45DIHYDRO1HPYRROLE3CARBOXYLATE
methyl(4E)4(13benzodioxol5ylmethylidene)2methyl5oxo1phenyl45dihydro1Hpyrrole3carboxylate
METHYL(4E)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL5OXO1PHENYLPYRROLE3CARBOXYLATE
MFCD02995839
ZINC000004812421
ZINC04812421
ZINC4812421
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