Vitas-M small molecule compound
2-[5-({2-[(2-bromo-4,6-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
Catalog ID
STK139611
SMILES COc1cccc(c1)NC(=O)Cc1nnc(n1CC)SCC(=O)Nc1c(F)cc(cc1Br)F
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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 C21H20BrF2N5O3S MW 540.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrF2N5O3S/c1-3-29-17(10-18(30)25-13-5-4-6-14(9-13)32-2)27-28-21(29)33-11-19(31)26-20-15(22)7-12(23)8-16(20)24/h4-9H,3,10-11H2,1-2H3,(H,25,30)(H,26,31)InChIKey
UULLVFLEUCRGIW-UHFFFAOYSA-NSynonyms
2(5((2((2BROMO46DIFLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)N(3METHOXYPHENYL)ACETAMIDE
2(5(2(2BROMO46DIFLUOROANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)N(3METHOXYPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Br)F)F)CC(=O)NC3=CC(=CC=C3)OC
InChI=1SC21H20BrF2N5O3Sc132917(1018(30)251354614(913)322)272821(29)331119(31)262015(22)712(23)816(20)24h49H31011H212H3(H2530)(H2631)
MFCD04403056
ZINC000002859286
ZINC2859286
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