Vitas-M small molecule compound
2-[(5-{[(4-fluorophenyl)(methylsulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Catalog ID
STL405981
SMILES O=C(Nc1ccc2c(c1)[nH]c(=O)[nH]2)CSc1nnc(n1C)CN(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 C20H20FN7O4S2 MW 505.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN7O4S2/c1-27-17(10-28(34(2,31)32)14-6-3-12(21)4-7-14)25-26-20(27)33-11-18(29)22-13-5-8-15-16(9-13)24-19(30)23-15/h3-9H,10-11H2,1-2H3,(H,22,29)(H2,23,24,30)InChIKey
HRDWSWBYGIIADD-UHFFFAOYSA-NSynonyms
2((5(((4fluorophenyl)(methylsulfonyl)amino)methyl)4methyl4H124triazol3yl)sulfanyl)N(2oxo23dihydro1Hbenzimidazol5yl)acetamide
2((5((4fluoroNmethylsulfonylanilino)methyl)4methyl124triazol3yl)sulfanyl)N(2oxo13dihydrobenzimidazol5yl)acetamide
CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)CN(C4=CC=C(C=C4)F)S(=O)(=O)C
InChI=1SC20H20FN7O4S2c12717(1028(34(231)32)146312(21)4714)252620(27)331118(29)2213581516(913)2419(30)2315h39H1011H212H3(H2229)(H2232430)
MFCD14833394
O=C(Nc1ccc2c(c1)(nH)c(=O)(nH)2)CSc1nnc(n1C)CN(S(=O)(=O)C)c1ccc(cc1)F
ZINC000020193883
ZINC20193883
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