Vitas-M small molecule compound
methyl (5E)-5-(3-bromobenzylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK159962
SMILES COC(=O)C1=C(C)N/C(=C/c2cccc(c2)Br)/C1=O
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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 C14H12BrNO3 MW 322.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrNO3/c1-8-12(14(18)19-2)13(17)11(16-8)7-9-4-3-5-10(15)6-9/h3-7,16H,1-2H3/b11-7+InChIKey
LBAFKSUMTCIVPY-YRNVUSSQSA-NSynonyms
(E)methyl5(3bromobenzylidene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=O)C(=CC2=CC(=CC=C2)Br)N1)C(=O)OC
COC(=O)C1=C(C)NC(=Cc2cccc(c2)Br)C1=O
InChI=1SC14H12BrNO3c1812(14(18)192)13(17)11(168)7943510(15)69h3716H12H3b117+
METHYL(5E)5((3BROMOPHENYL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
METHYL(5E)5(3BROMOBENZYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL2((3BROMOPHENYL)METHYLENE)5METHYL3OXOAZOLINE4CARBOXYLATE
MFCD01541028
ZINC000004095434
ZINC04095434
ZINC4095434
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