Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Catalog ID
STK315963
SMILES N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)c(=O)oc(c2)C
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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 C21H17N5O6 MW 435.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O6/c1-11-5-17-19(21(27)31-11)18(15(7-22)20(23)32-17)12-3-4-16(30-2)13(6-12)9-25-10-14(8-24-25)26(28)29/h3-6,8,10,18H,9,23H2,1-2H3InChIKey
VGPORZABPUCFFS-UHFFFAOYSA-NSynonyms
492425-23-72AMINO4(3((4NITRO1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)7METHYL5OXO4H5HPYRANO(43B)PYRAN3CARBONITRILE
2amino4(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)7methyl5oxo4H5Hpyrano(43b)pyran3carbonitrile
2AMINO4(4METHOXY3((4NITROPYRAZOL1YL)METHYL)PHENYL)7METHYL5OXO4HPYRANO(32C)PYRAN3CARBONITRILE
492425237
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)CN4C=C(C=N4)(N+)(=O)(O))C(=O)O1
InChI=1SC21H17N5O6c11151719(21(27)3111)18(15(722)20(23)3217)123416(302)13(612)9251014(82425)26(28)29h3681018H923H212H3
MFCD02175087
N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1ncc(c1)(N+)(=O)(O))OC)c(=O)oc(c2)C
ZINC000002758913
ZINC000002758914
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