Vitas-M small molecule compound
3-{2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-2,3-dihydro-1H-isoindol-1-one
Catalog ID
STL423384
SMILES O=C(N1CCCC1c1nc2c([nH]1)cccc2)CC1NC(=O)c2c1cccc2
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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 C21H20N4O2 MW 360.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2/c26-19(12-17-13-6-1-2-7-14(13)21(27)24-17)25-11-5-10-18(25)20-22-15-8-3-4-9-16(15)23-20/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)(H,24,27)InChIKey
SAYHXRGKIKHXMW-UHFFFAOYSA-NSynonyms
3(2((S)2(1Hbenzo(d)imidazol2yl)pyrrolidin1yl)2oxoethyl)isoindolin1one
3(2(2(1Hbenzimidazol2yl)pyrrolidin1yl)2oxoethyl)23dihydro1Hisoindol1one
3(2(2(1Hbenzimidazol2yl)pyrrolidin1yl)2oxoethyl)23dihydroisoindol1one
C1CC(N(C1)C(=O)CC2C3=CC=CC=C3C(=O)N2)C4=NC5=CC=CC=C5N4
InChI=1SC21H20N4O2c2619(121713612714(13)21(27)2417)251151018(25)202215834916(15)2320h14691718H51012H2(H2223)(H2427)
MFCD30708731
O=C(N1CCC(C@H)1c1nc2c((nH)1)cccc2)CC1NC(=O)c2c1cccc2
O=C(N1CCCC1c1nc2c((nH)1)cccc2)CC1NC(=O)c2c1cccc2
ZINC000096231084
ZINC000105734689
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