Vitas-M small molecule compound
2-amino-7-methyl-4-(2-nitrophenyl)-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Catalog ID
STK050205
SMILES N#CC1=C(N)Oc2c(C1c1ccccc1[N+](=O)[O-])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 C16H11N3O5 MW 325.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O5/c1-8-6-12-14(16(20)23-8)13(10(7-17)15(18)24-12)9-4-2-3-5-11(9)19(21)22/h2-6,13H,18H2,1H3InChIKey
CPSDTXIIGFORNL-UHFFFAOYSA-NSynonyms
315246-02-7(4S)2AMINO7METHYL4(2NITROPHENYL)5OXO4H5HPYRANO(43B)PYRAN3CARBONITRILE
2amino7methyl4(2nitrophenyl)5oxo45dihydropyrano(43b)pyran3carbonitrile
2AMINO7METHYL4(2NITROPHENYL)5OXO4H5HPYRANO(43B)PYRAN3CARBONITRILE
2AMINO7METHYL4(2NITROPHENYL)5OXO4HPYRANO(32C)PYRAN3CARBONITRILE
315246027
4H5HPYRANO(43B)PYRAN3CARBONITRILE2AMINO7METHYL4(2NITROPHENYL)5OXO
4H5HPYRANO(43B)PYRAN3CARBONITRILE2AMINO7METHYL45OXO
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3(N+)(=O)(O))C(=O)O1
InChI=1SC16H11N3O5c1861214(16(20)238)13(10(717)15(18)2412)9423511(9)19(21)22h2613H18H21H3
MFCD00744635
N#CC1=C(N)Oc2c(C1c1ccccc1(N+)(=O)(O))c(=O)oc(c2)C
STK050205
ZINC000000059408
ZINC000000059409
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