Vitas-M small molecule compound
methyl (4Z)-1-benzyl-4-(2-bromobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK709707
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccccc1Br)Cc1ccccc1
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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 C21H18BrNO3 MW 412.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO3/c1-14-19(21(25)26-2)17(12-16-10-6-7-11-18(16)22)20(24)23(14)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3/b17-12-InChIKey
XETHLGGDMFRXEJ-ATVHPVEESA-NSynonyms
CC1=C(C(=CC2=CC=CC=C2Br)C(=O)N1CC3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccccc1Br)Cc1ccccc1
InChI=1SC21H18BrNO3c11419(21(25)262)17(121610671118(16)22)20(24)23(14)13158435915h312H13H212H3b1712
METHYL(4Z)1BENZYL4((2BROMOPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
methyl(4Z)1benzyl4(2bromobenzylidene)2methyl5oxo45dihydro1Hpyrrole3carboxylate
MFCD04348196
ZINC000001423286
ZINC01423286
ZINC1423286
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