Vitas-M small molecule compound
(2E)-3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK195700
SMILES N#C/C(=C/c1cc(n(c1C)c1ccccc1F)C)/c1ccc(cc1)[N+](=O)[O-]
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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 C21H16FN3O2 MW 361.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FN3O2/c1-14-11-17(15(2)24(14)21-6-4-3-5-20(21)22)12-18(13-23)16-7-9-19(10-8-16)25(26)27/h3-12H,1-2H3/b18-12-InChIKey
URDQXRRPZXWOFX-PDGQHHTCSA-NSynonyms
(2E)3(1(2FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)2(4NITROPHENYL)PROP2ENENITRILE
(E)3(1(2FLUOROPHENYL)25DIMETHYLPYRROL3YL)2(4NITROPHENYL)PROP2ENENITRILE
CC1=CC(=C(N1C2=CC=CC=C2F)C)C=C(C#N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H16FN3O2c1141117(15(2)24(14)21643520(21)22)1218(1323)167919(10816)25(26)27h312H12H3b1812
MFCD04336227
N#CC(=Cc1cc(n(c1C)c1ccccc1F)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000012363412
ZINC12363412
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