Vitas-M small molecule compound
(2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile
Catalog ID
STK201489
SMILES N#C/C(=C/c1cc(n(c1C)c1ccc2c(c1)OCO2)C)/c1cccc(c1)[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 C22H17N3O4 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4/c1-14-8-17(9-18(12-23)16-4-3-5-20(10-16)25(26)27)15(2)24(14)19-6-7-21-22(11-19)29-13-28-21/h3-11H,13H2,1-2H3/b18-9-InChIKey
RBPLSPIPAVOMCQ-NVMNQCDNSA-NSynonyms
(2E)3(1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)2(3NITROPHENYL)PROP2ENENITRILE
(E)3(1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)2(3NITROPHENYL)PROP2ENENITRILE
CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H17N3O4c114817(918(1223)1643520(1016)25(26)27)15(2)24(14)19672122(1119)29132821h311H13H212H3b189
MFCD06622044
N#CC(=Cc1cc(n(c1C)c1ccc2c(c1)OCO2)C)c1cccc(c1)(N+)(=O)(O)
ZINC000012393024
ZINC12393024
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