Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(6-chloro-1H-indol-1-yl)acetamide

Catalog ID
STL474948
SMILES CSCCC(c1nc2c([nH]1)cccc2)NC(=O)Cn1ccc2c1cc(Cl)cc2

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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 C21H21ClN4OS MW 412.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4OS/c1-28-11-9-18(21-24-16-4-2-3-5-17(16)25-21)23-20(27)13-26-10-8-14-6-7-15(22)12-19(14)26/h2-8,10,12,18H,9,11,13H2,1H3,(H,23,27)(H,24,25)
InChIKey
WTWINPYGRHDMBD-UHFFFAOYSA-N
Synonyms

(S)N(1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)2(6chloro1Hindol1yl)acetamide
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)Cn1ccc2c1cc(Cl)cc2
CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CN3C=CC4=C3C=C(C=C4)Cl
CSCCC(c1nc2c((nH)1)cccc2)NC(=O)Cn1ccc2c1cc(Cl)cc2
InChI=1SC21H21ClN4OSc12811918(212416423517(16)2521)2320(27)1326108146715(22)1219(14)26h28101218H91113H21H3(H2327)(H2425)
MFCD31939376
N(1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)2(6chloro1Hindol1yl)acetamide
N(1(1Hbenzimidazol2yl)3methylsulfanylpropyl)2(6chloroindol1yl)acetamide
ZINC000064680988
ZINC000064781332

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Available files

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