Vitas-M small molecule compound
methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK838631
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc2OCOc2cc1Br)CCc1ccccc1
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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 C23H20BrNO5 MW 470.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrNO5/c1-14-21(23(27)28-2)17(10-16-11-19-20(12-18(16)24)30-13-29-19)22(26)25(14)9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3/b17-10-InChIKey
VXXYKCMQVHEYKN-YVLHZVERSA-NSynonyms
(Z)methyl4((6bromobenzo(d)(13)dioxol5yl)methylene)2methyl5oxo1phenethyl45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)N1CCC4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc2OCOc2cc1Br)CCc1ccccc1
InChI=1SC23H20BrNO5c11421(23(27)282)17(1016111920(1218(16)24)30132919)22(26)25(14)98156435715h371012H8913H212H3b1710
methyl(4Z)4((6bromo13benzodioxol5yl)methylidene)2methyl5oxo1(2phenylethyl)45dihydro1Hpyrrole3carboxylate
methyl(4Z)4((6bromo13benzodioxol5yl)methylidene)2methyl5oxo1(2phenylethyl)pyrrole3carboxylate
METHYL(4Z)4((6BROMO13BENZODIOXOL5YL)METHYLIDENE)2METHYL5OXO1PHENETHYLPYRROLE3CARBOXYLATE
MFCD01893960
ZINC000000653816
ZINC00653816
ZINC653816
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