Vitas-M small molecule compound
methyl (2E)-2-cyano-3-(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)prop-2-enoate
Catalog ID
STK627741
SMILES N#C/C(=C\c1cc2cc3OCCOc3cc2nc1O)/C(=O)OC
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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 C16H12N2O5 MW 312.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O5/c1-21-16(20)11(8-17)5-10-4-9-6-13-14(23-3-2-22-13)7-12(9)18-15(10)19/h4-7H,2-3H2,1H3,(H,18,19)/b11-5+InChIKey
LEHDVHMGPULMCW-VZUCSPMQSA-NSynonyms
929849-39-8929849398
COC(=O)C(=CC1=CC2=CC3=C(C=C2NC1=O)OCCO3)C#N
InChI=1SC16H12N2O5c12116(20)11(817)5104961314(23322213)712(9)1815(10)19h47H23H21H3(H1819)b115+
methyl(2E)2cyano3(7hydroxy23dihydro(14)dioxino(23g)quinolin8yl)prop2enoate
methyl(E)2cyano3(7oxo36dihydro2H(14)dioxino(23g)quinolin8yl)prop2enoate
MFCD09794002
N#CC(=Cc1cc2cc3OCCOc3cc2nc1O)C(=O)OC
ZINC000009184032
ZINC09184032
ZINC9184032
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