Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-(1-methyl-1H-indol-3-yl)butanamide

Catalog ID
STL421831
SMILES CSCCC(c1nc2c([nH]1)cccc2)NC(=O)CCCc1cn(c2c1cccc2)C

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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 C24H28N4OS MW 420.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4OS/c1-28-16-17(18-9-3-6-12-22(18)28)8-7-13-23(29)25-21(14-15-30-2)24-26-19-10-4-5-11-20(19)27-24/h3-6,9-12,16,21H,7-8,13-15H2,1-2H3,(H,25,29)(H,26,27)
InChIKey
GJVPZLIQJZXNOI-UHFFFAOYSA-N
Synonyms

(S)N(1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)4(1methyl1Hindol3yl)butanamide
CN1C=C(C2=CC=CC=C21)CCCC(=O)NC(CCSC)C3=NC4=CC=CC=C4N3
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)CCCc1cn(c2c1cccc2)C
CSCCC(c1nc2c((nH)1)cccc2)NC(=O)CCCc1cn(c2c1cccc2)C
InChI=1SC24H28N4OSc1281617(189361222(18)28)871323(29)2521(1415302)24261910451120(19)2724h369121621H781315H212H3(H2529)(H2627)
MFCD30707769
N(1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)4(1methyl1Hindol3yl)butanamide
N(1(1Hbenzimidazol2yl)3methylsulfanylpropyl)4(1methylindol3yl)butanamide
ZINC000218312682
ZINC000252484874

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.