Vitas-M small molecule compound
(2Z)-1-[3-(phenoxymethyl)-1-benzofuran-2-yl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Catalog ID
STK616432
SMILES O=C(c1oc2c(c1COc1ccccc1)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 C29H25NO5 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO5/c31-25(17-24-22-16-28-27(32-13-6-14-33-28)15-19(22)11-12-30-24)29-23(18-34-20-7-2-1-3-8-20)21-9-4-5-10-26(21)35-29/h1-5,7-10,15-17,30H,6,11-14,18H2/b24-17-InChIKey
DSIQQBJTLSKRSQ-ULJHMMPZSA-NSynonyms
903854-73-9(2Z)1(3(phenoxymethyl)1benzofuran2yl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
(2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)1(3(phenoxymethyl)1benzofuran2yl)ethanone
(Z)1(3(phenoxymethyl)benzofuran2yl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
903854739
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=C(C5=CC=CC=C5O4)COC6=CC=CC=C6)OC1
InChI=1SC29H25NO5c3125(172422162827(32136143328)1519(22)11123024)2923(1834207213820)219451026(21)3529h15710151730H6111418H2b2417
MFCD08285328
O=C(c1oc2c(c1COc1ccccc1)cccc2)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000013592617
ZINC13592617
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