Vitas-M small molecule compound
methyl (4Z)-4-(4-bromobenzylidene)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STL296462
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)Br)Cc1cccnc1
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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 C20H17BrN2O3 MW 413.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O3/c1-13-18(20(25)26-2)17(10-14-5-7-16(21)8-6-14)19(24)23(13)12-15-4-3-9-22-11-15/h3-11H,12H2,1-2H3/b17-10-InChIKey
QLLLVDZPFDUZJY-YVLHZVERSA-NSynonyms
(Z)methyl4(4bromobenzylidene)2methyl5oxo1(pyridin3ylmethyl)45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC=C(C=C2)Br)C(=O)N1CC3=CN=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)Br)Cc1cccnc1
InChI=1SC20H17BrN2O3c11318(20(25)262)17(10145716(21)8614)19(24)23(13)1215439221115h311H12H212H3b1710
METHYL(4Z)4((4BROMOPHENYL)METHYLIDENE)2METHYL5OXO1(PYRIDIN3YLMETHYL)PYRROLE3CARBOXYLATE
methyl(4Z)4(4bromobenzylidene)2methyl5oxo1(pyridin3ylmethyl)45dihydro1Hpyrrole3carboxylate
MFCD01893846
ZINC000000849755
ZINC00849755
ZINC849755
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