Vitas-M small molecule compound
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Catalog ID
STL168400
SMILES CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)Sc1nnc2c(n1)n(C)c1c2cc(cc1)Br
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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 C23H21BrN6OS2 MW 541.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN6OS2/c1-3-17(21(31)27-22-15(11-25)13-6-4-5-7-18(13)32-22)33-23-26-20-19(28-29-23)14-10-12(24)8-9-16(14)30(20)2/h8-10,17H,3-7H2,1-2H3,(H,27,31)InChIKey
LWQQJENCWQBILI-UHFFFAOYSA-NSynonyms
462612-68-62((8bromo5methyl(124)triazino(56b)indol3yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
2((8bromo5methyl5H(124)triazino(56b)indol3yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
462612686
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=C(C5=C(N4C)C=CC(=C5)Br)N=N3
InChI=1SC23H21BrN6OS2c1317(21(31)272215(1125)13645718(13)3222)3323262019(282923)141012(24)8916(14)30(20)2h81017H37H212H3(H2731)
MFCD02056562
ZINC000098045889
ZINC000098045890
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