Vitas-M small molecule compound

4-chloro-N-{2-[5-({2-[(5-fluoro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide

Catalog ID
STK155918
SMILES O=C(Nc1cc(F)ccc1C)CSc1nnc(n1C)CCNC(=O)c1ccc(cc1)Cl

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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 C21H21ClFN5O2S MW 461.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN5O2S/c1-13-3-8-16(23)11-17(13)25-19(29)12-31-21-27-26-18(28(21)2)9-10-24-20(30)14-4-6-15(22)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,24,30)(H,25,29)
InChIKey
YXJDLQLWTXTEEU-UHFFFAOYSA-N
Synonyms

4CHLORON(2(5((2((5FLUORO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON(2(5((5FLUORO2METHYLPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON(2(5(2(5FLUORO2METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C)CCNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC21H21ClFN5O2Sc1133816(23)1117(13)2519(29)123121272618(28(21)2)9102420(30)144615(22)7514h3811H91012H212H3(H2430)(H2529)
MFCD05112096
ZINC000002860885
ZINC02860885
ZINC2860885

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Available files

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