Vitas-M small molecule compound

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

Catalog ID
STK222145
SMILES O=C(Nc1ccc(cc1F)F)CSc1nnc(n1C(C)C)CNC(=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 C21H20F3N5O2S MW 463.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N5O2S/c1-12(2)29-18(10-25-20(31)14-5-3-4-6-15(14)23)27-28-21(29)32-11-19(30)26-17-8-7-13(22)9-16(17)24/h3-9,12H,10-11H2,1-2H3,(H,25,31)(H,26,30)
InChIKey
VCUDNJRWPDIILN-UHFFFAOYSA-N
Synonyms

CC(C)N1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)CNC(=O)C3=CC=CC=C3F
InChI=1SC21H20F3N5O2Sc112(2)2918(102520(31)14534615(14)23)272821(29)321119(30)26178713(22)916(17)24h3912H1011H212H3(H2531)(H2630)
MFCD07403198
N((5((2((24difluorophenyl)amino)2oxoethyl)sulfanyl)4(propan2yl)4H124triazol3yl)methyl)2fluorobenzamide
N((5(2(24DIFLUOROANILINO)2OXOETHYL)SULFANYL4PROPAN2YL124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
ZINC000009303841
ZINC09303841
ZINC9303841

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Available files

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