Vitas-M small molecule compound
2-(bicyclo[2.2.1]hept-5-en-2-yl)-1-[3-(morpholin-4-yl)-5-nitro-1-benzofuran-2-yl]propan-2-ol
Catalog ID
STK675786
SMILES [O-][N+](=O)c1ccc2c(c1)c(N1CCOCC1)c(o2)CC(C1CC2CC1C=C2)(O)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 C22H26N2O5 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5/c1-22(25,18-11-14-2-3-15(18)10-14)13-20-21(23-6-8-28-9-7-23)17-12-16(24(26)27)4-5-19(17)29-20/h2-5,12,14-15,18,25H,6-11,13H2,1H3InChIKey
HFZJXUAWTSUNJP-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)c(N1CCOCC1)c(o2)CC(C1CC2CC1C=C2)(O)C
2(5BICYCLO(221)HEPT2ENYL)1(3MORPHOLIN4YL5NITRO1BENZOFURAN2YL)PROPAN2OL
2(bicyclo(221)hept5en2yl)1(3(morpholin4yl)5nitro1benzofuran2yl)propan2ol
2BICYCLO(221)HEPT5EN2YL1(3MORPHOLIN4YL5NITRO1BENZOFURAN2YL)PROPAN2OL
2BICYCLO(221)HEPT5EN2YL1(3MORPHOLIN4YL5NITROBENZO(D)FURAN2YL)PROPAN2OL
CC(CC1=C(C2=C(O1)C=CC(=C2)(N+)(=O)(O))N3CCOCC3)(C4CC5CC4C=C5)O
InChI=1SC22H26N2O5c122(251811142315(18)1014)132021(2368289723)171216(24(26)27)4519(17)2920h251214151825H61113H21H3
MFCD01820601
ZINC000100082815
ZINC000100082823
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