Vitas-M small molecule compound

2-[(5-benzyl-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
STL168402
SMILES CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)Sc1nnc2c(n1)n(Cc1ccccc1)c1c2cccc1

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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 C29H26N6OS2 MW 538.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N6OS2/c1-2-23(27(36)32-28-21(16-30)19-12-7-9-15-24(19)37-28)38-29-31-26-25(33-34-29)20-13-6-8-14-22(20)35(26)17-18-10-4-3-5-11-18/h3-6,8,10-11,13-14,23H,2,7,9,12,15,17H2,1H3,(H,32,36)
InChIKey
KVLIPEGTYQGWCT-UHFFFAOYSA-N
Synonyms
462615-92-5
2((5benzyl(124)triazino(56b)indol3yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
2((5benzyl5H(124)triazino(56b)indol3yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
462615925
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6)N=N3
InChI=1SC29H26N6OS2c1223(27(36)322821(1630)1912791524(19)3728)3829312625(333429)2013681422(20)35(26)1718104351118h3681011131423H279121517H21H3(H3236)
MFCD02056316
ZINC000002757394
ZINC000002757395

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Available files

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