Vitas-M small molecule compound
(3Z)-1,1-diphenyl-3-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)propan-2-one
Catalog ID
STK571125
SMILES O=C(C(c1ccccc1)c1ccccc1)/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 C27H25NO3 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO3/c29-24(27(19-8-3-1-4-9-19)20-10-5-2-6-11-20)18-23-22-17-26-25(30-14-7-15-31-26)16-21(22)12-13-28-23/h1-6,8-11,16-18,27-28H,7,12-15H2/b23-18-InChIKey
SWIKMCOFFYSSSS-NKFKGCMQSA-NSynonyms
883951-45-9(3Z)11diphenyl3(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)propan2one
(3Z)3(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)11diphenylpropan2one
(Z)11diphenyl3(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)propan2one
883951459
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)OC1
InChI=1SC27H25NO3c2924(27(198314919)20105261120)182322172625(30147153126)1621(22)12132823h1681116182728H71215H2b2318
MFCD07638966
O=C(C(c1ccccc1)c1ccccc1)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000005423563
ZINC05423563
ZINC5423563
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