Vitas-M small molecule compound
2-[(4-ethyl-5-{[(4-fluorophenyl)(methylsulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Catalog ID
STL365631
SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)[nH]c(=O)[nH]3)nnc1CN(S(=O)(=O)C)c1ccc(cc1)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 C21H22FN7O4S2 MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN7O4S2/c1-3-28-18(11-29(35(2,32)33)15-7-4-13(22)5-8-15)26-27-21(28)34-12-19(30)23-14-6-9-16-17(10-14)25-20(31)24-16/h4-10H,3,11-12H2,1-2H3,(H,23,30)(H2,24,25,31)InChIKey
XEUOUBRLUQXNRG-UHFFFAOYSA-NSynonyms
2((4ethyl5(((4fluorophenyl)(methylsulfonyl)amino)methyl)4H124triazol3yl)sulfanyl)N(2oxo23dihydro1Hbenzimidazol5yl)acetamide
2((4ethyl5((4fluoroNmethylsulfonylanilino)methyl)124triazol3yl)sulfanyl)N(2oxo13dihydrobenzimidazol5yl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)CN(C4=CC=C(C=C4)F)S(=O)(=O)C
CCn1c(SCC(=O)Nc2ccc3c(c2)(nH)c(=O)(nH)3)nnc1CN(S(=O)(=O)C)c1ccc(cc1)F
InChI=1SC21H22FN7O4S2c132818(1129(35(232)33)157413(22)5815)262721(28)341219(30)2314691617(1014)2520(31)2416h410H31112H212H3(H2330)(H2242531)
MFCD14833399
ZINC000020416214
ZINC20416214
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