Vitas-M small molecule compound
methyl (5E)-1-(4-bromophenyl)-5-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK169295
SMILES COC(=O)C1=C(C)N(/C(=C/c2cc(n(c2C)c2cc(Cl)cc(c2)Cl)C)/C1=O)c1ccc(cc1)Br
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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 C26H21BrCl2N2O3 MW 560.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrCl2N2O3/c1-14-9-17(15(2)30(14)22-12-19(28)11-20(29)13-22)10-23-25(32)24(26(33)34-4)16(3)31(23)21-7-5-18(27)6-8-21/h5-13H,1-4H3/b23-10+InChIKey
FWOXPMLUVDQXPG-AUEPDCJTSA-NSynonyms
CC1=CC(=C(N1C2=CC(=CC(=C2)Cl)Cl)C)C=C3C(=O)C(=C(N3C4=CC=C(C=C4)Br)C)C(=O)OC
COC(=O)C1=C(C)N(C(=Cc2cc(n(c2C)c2cc(Cl)cc(c2)Cl)C)C1=O)c1ccc(cc1)Br
InChI=1SC26H21BrCl2N2O3c114917(15(2)30(14)221219(28)1120(29)1322)102325(32)24(26(33)344)16(3)31(23)217518(27)6821h513H14H3b2310+
METHYL(5E)1(4BROMOPHENYL)5((1(35DICHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5E)1(4BROMOPHENYL)5((1(35DICHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL4OXOPYRROLE3CARBOXYLATE
MFCD02623664
ZINC000100229464
ZINC100229464
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