Vitas-M small molecule compound
(2Z)-3-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]-2-(4-fluorophenyl)prop-2-enenitrile
Catalog ID
STK192412
SMILES N#C/C(=C\c1cc(n(c1C)c1cccc(c1)[N+](=O)[O-])C)/c1ccc(cc1)F
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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/c1-14-10-17(11-18(13-23)16-6-8-19(22)9-7-16)15(2)24(14)20-4-3-5-21(12-20)25(26)27/h3-12H,1-2H3/b18-11+InChIKey
IGMBIKFPSILZAE-WOJGMQOQSA-NSynonyms
(2Z)3(25DIMETHYL1(3NITROPHENYL)1HPYRROL3YL)2(4FLUOROPHENYL)PROP2ENENITRILE
(Z)3(25DIMETHYL1(3NITROPHENYL)PYRROL3YL)2(4FLUOROPHENYL)PROP2ENENITRILE
CC1=CC(=C(N1C2=CC(=CC=C2)(N+)(=O)(O))C)C=C(C#N)C3=CC=C(C=C3)F
InChI=1SC21H16FN3O2c1141017(1118(1323)166819(22)9716)15(2)24(14)2043521(1220)25(26)27h312H12H3b1811+
MFCD04277519
N#CC(=Cc1cc(n(c1C)c1cccc(c1)(N+)(=O)(O))C)c1ccc(cc1)F
ZINC000001101220
ZINC01101220
ZINC1101220
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