Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(8-hydroxyquinolin-7-yl)-3-(4-methoxyphenyl)propanamide

Catalog ID
STL559872
SMILES CSCCC(c1nc2c([nH]1)cccc2)NC(=O)CC(c1ccc2c(c1O)nccc2)c1ccc(cc1)OC

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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 C30H30N4O3S MW 526.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O3S/c1-37-21-12-9-19(10-13-21)23(22-14-11-20-6-5-16-31-28(20)29(22)36)18-27(35)32-26(15-17-38-2)30-33-24-7-3-4-8-25(24)34-30/h3-14,16,23,26,36H,15,17-18H2,1-2H3,(H,32,35)(H,33,34)
InChIKey
YWFFNVXDVINIIE-UHFFFAOYSA-N
Synonyms

139030038
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)CC(c1ccc2c(c1O)nccc2)c1ccc(cc1)OC
InChI=1SC30H30N4O3Sc1372112919(101321)23(2214112065163128(20)29(22)36)1827(35)3226(1517382)303324734825(24)3430h31416232636H151718H212H3(H3235)(H3334)
MFCD32221694
N((S)1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)3(8hydroxyquinolin7yl)3(4methoxyphenyl)propanamide
N(1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)3(8hydroxyquinolin7yl)3(4methoxyphenyl)propanamide
N(1(1Hbenzimidazol2yl)3methylsulfanylpropyl)3(8hydroxyquinolin7yl)3(4methoxyphenyl)propanamide
ZINC001776111943
ZINC001776111946

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Available files

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