Vitas-M small molecule compound

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

Catalog ID
STL409593
SMILES O=C(Cc1ccc2c(c1)OCCCO2)NCCc1nc2c([nH]1)cccc2

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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 C20H21N3O3 MW 351.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3/c24-20(13-14-6-7-17-18(12-14)26-11-3-10-25-17)21-9-8-19-22-15-4-1-2-5-16(15)23-19/h1-2,4-7,12H,3,8-11,13H2,(H,21,24)(H,22,23)
InChIKey
DKHKEDKCWHZFRP-UHFFFAOYSA-N
Synonyms
1574344-73-2
1574344732
C1COC2=C(C=C(C=C2)CC(=O)NCCC3=NC4=CC=CC=C4N3)OC1
InChI=1SC20H21N3O3c2420(1314671718(1214)26113102517)2198192215412516(15)2319h124712H381113H2(H2124)(H2223)
MFCD28058647
N(2(1Hbenzimidazol2yl)ethyl)2(34dihydro2H15benzodioxepin7yl)acetamide
N(2(1Hbenzo(d)imidazol2yl)ethyl)2(34dihydro2Hbenzo(b)(14)dioxepin7yl)acetamide
O=C(Cc1ccc2c(c1)OCCCO2)NCCc1nc2c((nH)1)cccc2
ZINC000096231254
ZINC96231254

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Available files

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