Vitas-M small molecule compound

N-{2-[4-ethyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide

Catalog ID
STK245543
SMILES CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1CCNC(=O)c1ccccc1F

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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/c1-3-28-19(10-11-24-21(31)16-6-4-5-7-17(16)23)26-27-22(28)34-13-20(30)25-18-9-8-15(29(32)33)12-14(18)2/h4-9,12H,3,10-11,13H2,1-2H3,(H,24,31)(H,25,30)
InChIKey
VMLAEZSFKLHNRN-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))C)CCNC(=O)C3=CC=CC=C3F
CCn1c(SCC(=O)Nc2ccc(cc2C)(N+)(=O)(O))nnc1CCNC(=O)c1ccccc1F
InChI=1SC22H23FN6O4Sc132819(10112421(31)16645717(16)23)262722(28)341320(30)25189815(29(32)33)1214(18)2h4912H3101113H212H3(H2431)(H2530)
MFCD08670136
N(2(4ETHYL5((2((2METHYL4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(4ETHYL5((2METHYL4NITROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(4ETHYL5(2(2METHYL4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009306261
ZINC09306261
ZINC9306261

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Available files

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