Vitas-M small molecule compound
N-(3-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Catalog ID
STK594757
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])CN1CCc2c(C1)cc1c(c2)OCCCO1
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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 C20H21N3O5 MW 383.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5/c24-20(21-16-3-1-4-17(11-16)23(25)26)13-22-6-5-14-9-18-19(10-15(14)12-22)28-8-2-7-27-18/h1,3-4,9-11H,2,5-8,12-13H2,(H,21,24)InChIKey
DZTZJKAMSSPSIY-UHFFFAOYSA-NSynonyms
879444-69-62(2347910hexahydro(14)dioxepino(23g)isoquinolin8yl)N(3nitrophenyl)acetamide
879444696
C1COC2=C(C=C3CN(CCC3=C2)CC(=O)NC4=CC(=CC=C4)(N+)(=O)(O))OC1
InChI=1SC20H21N3O5c2420(211631417(1116)23(25)26)1322651491819(1015(14)1222)288272718h134911H2581213H2(H2124)
MFCD06791755
N(3nitrophenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)acetamide
O=C(Nc1cccc(c1)(N+)(=O)(O))CN1CCc2c(C1)cc1c(c2)OCCCO1
ZINC000005348507
ZINC5348507
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