Vitas-M small molecule compound
N-{4-[4-(butan-2-yl)phenyl]-3-cyano-5-methylthiophen-2-yl}-4-nitrobenzamide
Catalog ID
STK426337
SMILES CCC(c1ccc(cc1)c1c(C)sc(c1C#N)NC(=O)c1ccc(cc1)[N+](=O)[O-])C
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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 C23H21N3O3S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S/c1-4-14(2)16-5-7-17(8-6-16)21-15(3)30-23(20(21)13-24)25-22(27)18-9-11-19(12-10-18)26(28)29/h5-12,14H,4H2,1-3H3,(H,25,27)InChIKey
PMNYPDRXCXMPLE-UHFFFAOYSA-NSynonyms
CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C
CCC(c1ccc(cc1)c1c(C)sc(c1C#N)NC(=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC23H21N3O3Sc1414(2)165717(8616)2115(3)3023(20(21)1324)2522(27)1891119(121018)26(28)29h51214H4H213H3(H2527)
MFCD02374555
N(3CYANO5METHYL4(4(METHYLPROPYL)PHENYL)(2THIENYL))(4NITROPHENYL)CARBOXAMIDE
N(4(4((2R)BUTAN2YL)PHENYL)3CYANO5METHYLTHIOPHEN2YL)4NITROBENZAMIDE
N(4(4((2S)BUTAN2YL)PHENYL)3CYANO5METHYLTHIOPHEN2YL)4NITROBENZAMIDE
N(4(4(butan2yl)phenyl)3cyano5methylthiophen2yl)4nitrobenzamide
N(4(4BUTAN2YLPHENYL)3CYANO5METHYLTHIOPHEN2YL)4NITROBENZAMIDE
N(4(4SECBUTYLPHENYL)3CYANO5METHYL2THIENYL)4NITROBENZAMIDE
ZINC000002110624
ZINC000002110626
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