Vitas-M small molecule compound
2-{3-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK192501
SMILES N#C/C(=C\c1cc(n(c1C)c1sc2c(c1C#N)CCCC2)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 C24H20N4O2S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O2S/c1-15-11-18(12-19(13-25)17-7-9-20(10-8-17)28(29)30)16(2)27(15)24-22(14-26)21-5-3-4-6-23(21)31-24/h7-12H,3-6H2,1-2H3/b19-12+InChIKey
AGSVJCOINHRZJR-XDHOZWIPSA-NSynonyms
2(3((Z)2cyano2(4nitrophenyl)ethenyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((Z)2cyano2(4nitrophenyl)ethenyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C(C#N)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC24H20N4O2Sc1151118(1219(1325)177920(10817)28(29)30)16(2)27(15)2422(1426)21534623(21)3124h712H36H212H3b1912+
MFCD05800925
N#CC(=Cc1cc(n(c1C)c1sc2c(c1C#N)CCCC2)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000002849641
ZINC02849641
ZINC2849641
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