Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide

Catalog ID
STL410773
SMILES CSCCC(c1nc2c([nH]1)cccc2)NC(=O)CCc1ccc2c(c1)CCO2

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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 C22H25N3O2S MW 395.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O2S/c1-28-13-11-19(22-24-17-4-2-3-5-18(17)25-22)23-21(26)9-7-15-6-8-20-16(14-15)10-12-27-20/h2-6,8,14,19H,7,9-13H2,1H3,(H,23,26)(H,24,25)
InChIKey
XRENCFOVQWFZIX-UHFFFAOYSA-N
Synonyms

(S)N(1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)3(23dihydrobenzofuran5yl)propanamide
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)CCc1ccc2c(c1)CCO2
CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCC3=CC4=C(C=C3)OCC4
CSCCC(c1nc2c((nH)1)cccc2)NC(=O)CCc1ccc2c(c1)CCO2
InChI=1SC22H25N3O2Sc128131119(222417423518(17)2522)2321(26)9715682016(1415)10122720h2681419H7913H21H3(H2326)(H2425)
MFCD30706382
N(1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)3(23dihydro1benzofuran5yl)propanamide
N(1(1Hbenzimidazol2yl)3methylsulfanylpropyl)3(23dihydro1benzofuran5yl)propanamide
ZINC000096231510
ZINC000223236785

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Available files

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