Vitas-M small molecule compound

methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK168434
SMILES COc1cccc(c1)N1C(=C(/C(=C/c2cc3OCOc3cc2Br)/C1=O)C(=O)OC)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 C22H18BrNO6 MW 472.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO6/c1-12-20(22(26)28-3)16(7-13-8-18-19(10-17(13)23)30-11-29-18)21(25)24(12)14-5-4-6-15(9-14)27-2/h4-10H,11H2,1-3H3/b16-7-
InChIKey
VGMYNOFONMVLPP-APSNUPSMSA-N
Synonyms

CC1=C(C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)N1C4=CC(=CC=C4)OC)C(=O)OC
COc1cccc(c1)N1C(=C(C(=Cc2cc3OCOc3cc2Br)C1=O)C(=O)OC)C
InChI=1SC22H18BrNO6c11220(22(26)283)16(71381819(1017(13)23)30112918)21(25)24(12)1454615(914)272h410H11H213H3b167
METHYL(4Z)4((6BROMO13BENZODIOXOL5YL)METHYLIDENE)1(3METHOXYPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((6BROMO13BENZODIOXOL5YL)METHYLIDENE)1(3METHOXYPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD01964174
ZINC000001000462
ZINC01000462
ZINC1000462

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Available files

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