Vitas-M small molecule compound
2-amino-1-(4-fluoro-3-nitrophenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL172611
SMILES N#CC1=C(N)N(c2ccc(c(c2)[N+](=O)[O-])F)C2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CCC2
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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 C23H16FN5O7 MW 493.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16FN5O7/c24-14-5-4-11(6-17(14)29(33)34)27-15-2-1-3-18(30)22(15)21(13(9-25)23(27)26)12-7-19-20(36-10-35-19)8-16(12)28(31)32/h4-8,21H,1-3,10,26H2InChIKey
BUFMXRUFGFUNOW-UHFFFAOYSA-NSynonyms
514800-40-92amino1(4fluoro3nitrophenyl)4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4fluoro3nitrophenyl)4(6nitro13benzodioxol5yl)5oxo4678tetrahydroquinoline3carbonitrile
514800409
C1CC2=C(C(C(=C(N2C3=CC(=C(C=C3)F)(N+)(=O)(O))N)C#N)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)C1
InChI=1SC23H16FN5O7c24145411(617(14)29(33)34)271521318(30)22(15)21(13(925)23(27)26)1271920(36103519)816(12)28(31)32h4821H131026H2
MFCD03757370
N#CC1=C(N)N(c2ccc(c(c2)(N+)(=O)(O))F)C2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CCC2
ZINC000002115178
ZINC000002115180
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