Vitas-M small molecule compound

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
STK605976
SMILES O=C(c1ccc(=O)[nH]n1)/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 C18H17N3O4 MW 339.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4/c22-15(13-2-3-18(23)21-20-13)10-14-12-9-17-16(24-6-1-7-25-17)8-11(12)4-5-19-14/h2-3,8-10,19H,1,4-7H2,(H,21,23)/b14-10-
InChIKey
XHZNXXSSAWYZIF-UVTDQMKNSA-N
Synonyms
903195-62-0
(Z)6(2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetyl)pyridazin3(2H)one
3((2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)acetyl)1Hpyridazin6one
6((2Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetyl)pyridazin3(2H)one
903195620
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=NNC(=O)C=C4)OC1
InChI=1SC18H17N3O4c2215(132318(23)212013)10141291716(246172517)811(12)451914h2381019H147H2(H2123)b1410
MFCD08285279
O=C(c1ccc(=O)(nH)n1)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000006661878
ZINC6661878

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Available files

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