Vitas-M small molecule compound
N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]-3-nitrobenzamide
Catalog ID
STK463649
SMILES N#Cc1c(scc1c1cc(C)ccc1C)NC(=O)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 C20H15N3O3S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O3S/c1-12-6-7-13(2)16(8-12)18-11-27-20(17(18)10-21)22-19(24)14-4-3-5-15(9-14)23(25)26/h3-9,11H,1-2H3,(H,22,24)InChIKey
BGYNPULFBUVRAT-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)C2=CSC(=C2C#N)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H15N3O3Sc1126713(2)16(812)18112720(17(18)1021)2219(24)1443515(914)23(25)26h3911H12H3(H2224)
MFCD06005373
N#Cc1c(scc1c1cc(C)ccc1C)NC(=O)c1cccc(c1)(N+)(=O)(O)
N(3cyano4(25dimethylphenyl)thiophen2yl)3nitrobenzamide
N(4(25DIMETHYLPHENYL)3CYANO(2THIENYL))(3NITROPHENYL)CARBOXAMIDE
ZINC000001056666
ZINC01056666
ZINC1056666
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