Vitas-M small molecule compound
6-[(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)carbonyl]-2-(2-phenoxyethyl)pyridazin-3(2H)-one
Catalog ID
STK612955
SMILES O=C(N1CCc2c(C1C)cc1c(c2)OCCCO1)c1ccc(=O)n(n1)CCOc1ccccc1
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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 C26H27N3O5 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5/c1-18-21-17-24-23(33-13-5-14-34-24)16-19(21)10-11-28(18)26(31)22-8-9-25(30)29(27-22)12-15-32-20-6-3-2-4-7-20/h2-4,6-9,16-18H,5,10-15H2,1H3InChIKey
FFXMIOGOKURBEJ-UHFFFAOYSA-NSynonyms
903203-41-86((7methyl34910tetrahydro2H(14)dioxepino(23g)isoquinolin8(7H)yl)carbonyl)2(2phenoxyethyl)pyridazin3(2H)one
6(7methyl2347910hexahydro(14)dioxepino(23g)isoquinoline8carbonyl)2(2phenoxyethyl)pyridazin3one
6(7methyl3478910hexahydro2H(14)dioxepino(23g)isoquinoline8carbonyl)2(2phenoxyethyl)pyridazin3(2H)one
903203418
CC1C2=CC3=C(C=C2CCN1C(=O)C4=NN(C(=O)C=C4)CCOC5=CC=CC=C5)OCCCO3
InChI=1SC26H27N3O5c11821172423(33135143424)1619(21)101128(18)26(31)228925(30)29(2722)121532206324720h24691618H51015H21H3
MFCD08285700
ZINC000009186439
ZINC000013592730
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