Vitas-M small molecule compound
2-(2-phenoxyethyl)-6-[(2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)acetyl]pyridazin-3(2H)-one
Catalog ID
STK616445
SMILES O=C(c1ccc(=O)n(n1)CCOc1ccccc1)/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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c30-23(21-7-8-26(31)29(28-21)11-14-32-19-5-2-1-3-6-19)17-22-20-16-25-24(33-12-4-13-34-25)15-18(20)9-10-27-22/h1-3,5-8,15-17,27H,4,9-14H2/b22-17-InChIKey
LSZDUDJINKENJN-XLNRJJMWSA-NSynonyms
903185-23-9(Z)2(2phenoxyethyl)6(2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetyl)pyridazin3(2H)one
2(2phenoxyethyl)6((2Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetyl)pyridazin3(2H)one
6((2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)acetyl)2(2phenoxyethyl)pyridazin3one
903185239
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=NN(C(=O)C=C4)CCOC5=CC=CC=C5)OC1
InChI=1SC26H25N3O5c3023(217826(31)29(2821)111432195213619)172220162524(33124133425)1518(20)9102722h1358151727H4914H2b2217
MFCD08286757
O=C(c1ccc(=O)n(n1)CCOc1ccccc1)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000013593647
ZINC13593647
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