Vitas-M small molecule compound
(2Z)-1-(1-benzofuran-2-yl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Catalog ID
STK598010
SMILES O=C(c1cc2c(o1)cccc2)/C=C/1\NCCc2c1cc1OCCCOc1c2
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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 C22H19NO4 MW 361.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO4/c24-18(20-11-15-4-1-2-5-19(15)27-20)13-17-16-12-22-21(25-8-3-9-26-22)10-14(16)6-7-23-17/h1-2,4-5,10-13,23H,3,6-9H2/b17-13-InChIKey
YBSXGVCWLROOAC-LGMDPLHJSA-NSynonyms
(2Z)1(1benzofuran2yl)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)ethanone
(2Z)1(1benzofuran2yl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
(Z)1(benzofuran2yl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=CC5=CC=CC=C5O4)OC1
InChI=1SC22H19NO4c2418(201115412519(15)2720)131716122221(258392622)1014(16)672317h1245101323H369H2b1713
MFCD07639394
O=C(c1cc2c(o1)cccc2)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000005427070
ZINC05427070
ZINC5427070
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