Vitas-M small molecule compound
6-bromo-3-[(2E)-3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Catalog ID
STL037282
SMILES Brc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C(=O)/C=C/c1cc2OCCOc2cc1[N+](=O)[O-]
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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 C26H17BrN2O6 MW 533.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17BrN2O6/c27-17-7-8-19-18(13-17)24(15-4-2-1-3-5-15)25(26(31)28-19)21(30)9-6-16-12-22-23(35-11-10-34-22)14-20(16)29(32)33/h1-9,12-14H,10-11H2,(H,28,31)/b9-6+InChIKey
ALJYKMCZEQCDCE-RMKNXTFCSA-NSynonyms
6bromo3((2E)3(7nitro23dihydro14benzodioxin6yl)prop2enoyl)4phenylquinolin2(1H)one
6BROMO3((E)3(6NITRO23DIHYDRO14BENZODIOXIN7YL)PROP2ENOYL)4PHENYL1HQUINOLIN2ONE
Brc1ccc2c(c1)c(c1ccccc1)c(c(=O)(nH)2)C(=O)C=Cc1cc2OCCOc2cc1(N+)(=O)(O)
C1COC2=C(O1)C=C(C(=C2)(N+)(=O)(O))C=CC(=O)C3=C(C4=C(C=CC(=C4)Br)NC3=O)C5=CC=CC=C5
InChI=1SC26H17BrN2O6c2717781918(1317)24(154213515)25(26(31)2819)21(30)9616122223(3511103422)1420(16)29(32)33h191214H1011H2(H2831)b96+
MFCD00186573
ZINC000100486506
ZINC100486506
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