Vitas-M small molecule compound
N-{2-[5-({2-[(2,6-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STK497850
SMILES CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1c(F)cccc1F
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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/c1-2-29-17(10-11-25-20(31)13-6-3-4-7-14(13)22)27-28-21(29)32-12-18(30)26-19-15(23)8-5-9-16(19)24/h3-9H,2,10-12H2,1H3,(H,25,31)(H,26,30)InChIKey
SMOUYXRHMLNWMM-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2F)F)CCNC(=O)C3=CC=CC=C3F
InChI=1SC21H20F3N5O2Sc122917(10112520(31)13634714(13)22)272821(29)321218(30)261915(23)85916(19)24h39H21012H21H3(H2531)(H2630)
MFCD11855131
N(2(5((2((26difluorophenyl)amino)2oxoethyl)sulfanyl)4ethyl4H124triazol3yl)ethyl)2fluorobenzamide
N(2(5(2(26difluoroanilino)2oxoethyl)sulfanyl4ethyl124triazol3yl)ethyl)2fluorobenzamide
ZINC000028211721
ZINC28211721
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