Vitas-M small molecule compound
methyl (4Z)-4-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK326703
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)Br)C)C
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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 C21H21BrN2O3 MW 429.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O3/c1-12-10-15(13(2)24(12)17-8-6-16(22)7-9-17)11-18-19(21(26)27-5)14(3)23(4)20(18)25/h6-11H,1-5H3/b18-11-InChIKey
RXYLUSUZSQBIEJ-WQRHYEAKSA-NSynonyms
CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C3C(=C(N(C3=O)C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)Br)C)C
InChI=1SC21H21BrN2O3c1121015(13(2)24(12)178616(22)7917)111819(21(26)275)14(3)23(4)20(18)25h611H15H3b1811
methyl(4Z)4((1(4bromophenyl)25dimethyl1Hpyrrol3yl)methylidene)12dimethyl5oxo45dihydro1Hpyrrole3carboxylate
METHYL(4Z)4((1(4BROMOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)12DIMETHYL5OXOPYRROLE3CARBOXYLATE
METHYL4((1(4BROMOPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)12DIMETHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03067985
ZINC000017299686
ZINC17299686
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