Vitas-M small molecule compound
methyl (4Z)-4-(3-bromobenzylidene)-1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160084
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1)Br)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 C20H22BrNO3 MW 404.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO3/c1-13-18(20(24)25-2)17(12-14-7-6-8-15(21)11-14)19(23)22(13)16-9-4-3-5-10-16/h6-8,11-12,16H,3-5,9-10H2,1-2H3/b17-12-InChIKey
ONGSSVFVGAEEBW-ATVHPVEESA-NSynonyms
CC1=C(C(=CC2=CC(=CC=C2)Br)C(=O)N1C3CCCCC3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cccc(c1)Br)C1CCCCC1
InChI=1SC20H22BrNO3c11318(20(24)252)17(121476815(21)1114)19(23)22(13)1694351016h68111216H35910H212H3b1712
METHYL(4Z)4((3BROMOPHENYL)METHYLIDENE)1CYCLOHEXYL2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(3BROMOBENZYLIDENE)1CYCLOHEXYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03068169
ZINC000000657259
ZINC00657259
ZINC657259
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