Vitas-M small molecule compound
(2E)-1-(4-phenoxyphenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Catalog ID
STK572062
SMILES O=C(c1ccc(cc1)Oc1ccccc1)/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 C26H23NO4 MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO4/c28-24(18-7-9-21(10-8-18)31-20-5-2-1-3-6-20)17-23-22-16-26-25(29-13-4-14-30-26)15-19(22)11-12-27-23/h1-3,5-10,15-17,27H,4,11-14H2/b23-17+InChIKey
VMLAZSWRLXNLLJ-HAVVHWLPSA-NSynonyms
898915-47-4(2E)1(4phenoxyphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
(2E)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)1(4phenoxyphenyl)ethanone
(E)1(4phenoxyphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
898915474
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)OC1
InChI=1SC26H23NO4c2824(187921(10818)31205213620)172322162625(29134143026)1519(22)11122723h13510151727H41114H2b2317+
MFCD07638650
O=C(c1ccc(cc1)Oc1ccccc1)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000101370992
ZINC101370992
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