Vitas-M small molecule compound

2-amino-7-methyl-4-(4-nitrophenyl)-5-oxo-6-(pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Catalog ID
STL070923
SMILES N#CC1=C(N)Oc2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)n(c(c2)C)Cc1cccnc1

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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 C22H17N5O4 MW 415.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O4/c1-13-9-18-20(22(28)26(13)12-14-3-2-8-25-11-14)19(17(10-23)21(24)31-18)15-4-6-16(7-5-15)27(29)30/h2-9,11,19H,12,24H2,1H3
InChIKey
VSUGTZWOQWVKOQ-UHFFFAOYSA-N
Synonyms
716341-34-3
(4R)2AMINO7METHYL4(4NITROPHENYL)5OXO6(PYRIDIN3YLMETHYL)56DIHYDRO4HPYRANO(32C)PYRIDINE3CARBONITRILE
2AMINO7METHYL4(4NITROPHENYL)5OXO6(3PYRIDYLMETHYL)6HYDRO4HPYRANO(32C)PYRIDINE3CARBONITRILE
2AMINO7METHYL4(4NITROPHENYL)5OXO6(PYRIDIN3YLMETHYL)4HPYRANO(32C)PYRIDINE3CARBONITRILE
2amino7methyl4(4nitrophenyl)5oxo6(pyridin3ylmethyl)56dihydro4Hpyrano(32c)pyridine3carbonitrile
716341343
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)N1CC4=CN=CC=C4
InChI=1SC22H17N5O4c11391820(22(28)26(13)1214328251114)19(17(1023)21(24)3118)154616(7515)27(29)30h291119H1224H21H3
MFCD03689727
N#CC1=C(N)Oc2c(C1c1ccc(cc1)(N+)(=O)(O))c(=O)n(c(c2)C)Cc1cccnc1
ZINC000005066103
ZINC000005066106

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.