Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

Catalog ID
STL410843
SMILES CSCCC(c1nc2c([nH]1)cccc2)NC(=O)Cc1ccc2c(c1)OCCCO2

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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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-29-12-9-18(22-24-16-5-2-3-6-17(16)25-22)23-21(26)14-15-7-8-19-20(13-15)28-11-4-10-27-19/h2-3,5-8,13,18H,4,9-12,14H2,1H3,(H,23,26)(H,24,25)
InChIKey
XHLYSVFDTBJNFE-UHFFFAOYSA-N
Synonyms

(S)N(1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)2(34dihydro2Hbenzo(b)(14)dioxepin7yl)acetamide
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)Cc1ccc2c(c1)OCCCO2
CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CC3=CC4=C(C=C3)OCCCO4
CSCCC(c1nc2c((nH)1)cccc2)NC(=O)Cc1ccc2c(c1)OCCCO2
InChI=1SC22H25N3O3Sc12912918(222416523617(16)2522)2321(26)1415781920(1315)28114102719h23581318H491214H21H3(H2326)(H2425)
MFCD30706414
N(1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)2(34dihydro2H15benzodioxepin7yl)acetamide
N(1(1Hbenzimidazol2yl)3methylsulfanylpropyl)2(34dihydro2H15benzodioxepin7yl)acetamide
ZINC000096223782
ZINC000223237566

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Available files

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