Vitas-M small molecule compound

(2E)-2-(4-bromophenyl)-3-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]prop-2-enenitrile

Catalog ID
STK197380
SMILES N#C/C(=C/c1cc(n(c1C)c1ccc(cc1)[N+](=O)[O-])C)/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 C21H16BrN3O2 MW 422.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O2/c1-14-11-17(12-18(13-23)16-3-5-19(22)6-4-16)15(2)24(14)20-7-9-21(10-8-20)25(26)27/h3-12H,1-2H3/b18-12-
InChIKey
NOEHJYIEGBAGNB-PDGQHHTCSA-N
Synonyms

(2E)2(4BROMOPHENYL)3(25DIMETHYL1(4NITROPHENYL)1HPYRROL3YL)PROP2ENENITRILE
(E)2(4BROMOPHENYL)3(25DIMETHYL1(4NITROPHENYL)PYRROL3YL)PROP2ENENITRILE
CC1=CC(=C(N1C2=CC=C(C=C2)(N+)(=O)(O))C)C=C(C#N)C3=CC=C(C=C3)Br
InChI=1SC21H16BrN3O2c1141117(1218(1323)163519(22)6416)15(2)24(14)207921(10820)25(26)27h312H12H3b1812
MFCD01461057
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)(N+)(=O)(O))C)c1ccc(cc1)Br
ZINC000001436879
ZINC01436879
ZINC1436879

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Available files

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