Vitas-M small molecule compound
2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)butanamide
Catalog ID
STK122199
SMILES CCC(C(=O)Nc1ccc(cc1)Br)Sc1nnc(n1C)c1ccc(cc1)N
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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 C19H20BrN5OS MW 446.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrN5OS/c1-3-16(18(26)22-15-10-6-13(20)7-11-15)27-19-24-23-17(25(19)2)12-4-8-14(21)9-5-12/h4-11,16H,3,21H2,1-2H3,(H,22,26)InChIKey
IXUSRQWWRRSUOX-UHFFFAOYSA-NSynonyms
(2R)2((5(4AMINOPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(4BROMOPHENYL)BUTANAMIDE
2((5(4AMINOPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)N(4BROMOPHENYL)BUTANAMIDE
2((5(4AMINOPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(4BROMOPHENYL)BUTANAMIDE
CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC=C(C=C3)N
InChI=1SC19H20BrN5OSc1316(18(26)221510613(20)71115)2719242317(25(19)2)124814(21)9512h41116H321H212H3(H2226)
MFCD03996031
ZINC000002836692
ZINC000002836693
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