Vitas-M small molecule compound
N-{1-[4-ethyl-5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STK235871
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C)nnc1C(NC(=O)c1ccccc1F)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 C22H23FN6O4S MW 486.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN6O4S/c1-4-28-20(14(3)24-21(31)16-7-5-6-8-17(16)23)26-27-22(28)34-12-19(30)25-15-10-9-13(2)18(11-15)29(32)33/h5-11,14H,4,12H2,1-3H3,(H,24,31)(H,25,30)InChIKey
IPHSVMYUXJMWCQ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)(N+)(=O)(O))C(C)NC(=O)C3=CC=CC=C3F
CCn1c(SCC(=O)Nc2ccc(c(c2)(N+)(=O)(O))C)nnc1C(NC(=O)c1ccccc1F)C
InChI=1SC22H23FN6O4Sc142820(14(3)2421(31)16756817(16)23)262722(28)341219(30)251510913(2)18(1115)29(32)33h51114H412H213H3(H2431)(H2530)
MFCD07357878
N(1(4ETHYL5((2((4METHYL3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(4ETHYL5(2(4METHYL3NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009190129
ZINC000009190130
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