Vitas-M small molecule compound

methyl (4Z)-4-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160446
SMILES COC(=O)C1=C(C)NC(=O)/C/1=C\c1cc(n(c1C)c1cccc(c1)Br)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 C20H19BrN2O3 MW 415.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O3/c1-11-8-14(13(3)23(11)16-7-5-6-15(21)10-16)9-17-18(20(25)26-4)12(2)22-19(17)24/h5-10H,1-4H3,(H,22,24)/b17-9-
InChIKey
SYIHRQRYSFEYDK-MFOYZWKCSA-N
Synonyms

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C=C3C(=C(NC3=O)C)C(=O)OC
COC(=O)C1=C(C)NC(=O)C1=Cc1cc(n(c1C)c1cccc(c1)Br)C
InChI=1SC20H19BrN2O3c111814(13(3)23(11)1675615(21)1016)91718(20(25)264)12(2)2219(17)24h510H14H3(H2224)b179
METHYL(4Z)4((1(3BROMOPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(3BROMOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXO1HPYRROLE3CARBOXYLATE
MFCD03269926
ZINC000014009248
ZINC14009248

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Available files

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