Vitas-M small molecule compound
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL424555
SMILES CC(CC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc2c(c1)OCCCO2)C
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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 C22H25N3O3 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3/c1-14(2)12-18(21-23-16-6-3-4-7-17(16)24-21)25-22(26)15-8-9-19-20(13-15)28-11-5-10-27-19/h3-4,6-9,13-14,18H,5,10-12H2,1-2H3,(H,23,24)(H,25,26)InChIKey
DXRIBGSQHFOUDF-UHFFFAOYSA-NSynonyms
(S)N(1(1Hbenzo(d)imidazol2yl)3methylbutyl)34dihydro2Hbenzo(b)(14)dioxepine7carboxamide
CC(C(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)c1ccc2c(c1)OCCCO2)C
CC(C)CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)OCCCO4
CC(CC(c1nc2c((nH)1)cccc2)NC(=O)c1ccc2c(c1)OCCCO2)C
InChI=1SC22H25N3O3c114(2)1218(212316634717(16)2421)2522(26)15891920(1315)28115102719h3469131418H51012H212H3(H2324)(H2526)
MFCD30709442
N(1(1Hbenzimidazol2yl)3methylbutyl)34dihydro2H15benzodioxepine7carboxamide
ZINC000016967692
ZINC000016967693
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