Vitas-M small molecule compound
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl](3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
Catalog ID
STL423604
SMILES O=C(N1CCC[C@H]1c1nc2c([nH]1)cccc2)c1ccc2c(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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c25-21(14-8-9-18-19(13-14)27-12-4-11-26-18)24-10-3-7-17(24)20-22-15-5-1-2-6-16(15)23-20/h1-2,5-6,8-9,13,17H,3-4,7,10-12H2,(H,22,23)/t17-/m0/s1InChIKey
NVNSEXVYTHCDMW-KRWDZBQOSA-NSynonyms
1574364-24-1((2S)2(1Hbenzimidazol2yl)pyrrolidin1yl)(34dihydro2H15benzodioxepin7yl)methanone
(S)(2(1Hbenzo(d)imidazol2yl)pyrrolidin1yl)(34dihydro2Hbenzo(b)(14)dioxepin7yl)methanone
1574364241
C1CC(N(C1)C(=O)C2=CC3=C(C=C2)OCCCO3)C4=NC5=CC=CC=C5N4
InChI=1SC21H21N3O3c2521(14891819(1314)27124112618)24103717(24)202215512616(15)2320h1256891317H3471012H2(H2223)t17m0s1
O=C(N1CCC(C@H)1c1nc2c((nH)1)cccc2)c1ccc2c(c1)OCCCO2
ZINC000016309062
ZINC16309062
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