Vitas-M small molecule compound

methyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate

Catalog ID
STK081746
SMILES COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC)C#N)N

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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 C24H25N5O8 MW 511.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O8/c1-12-22(29(32)33)13(2)28(27-12)11-15-8-14(6-7-17(15)34-3)20-16(10-25)23(26)37-18(9-19(30)35-4)21(20)24(31)36-5/h6-8,20H,9,11,26H2,1-5H3
InChIKey
WBHDXZUOKQNBED-UHFFFAOYSA-N
Synonyms
312310-51-3
312310513
CC1=C(C(=NN1CC2=C(C=CC(=C2)C3C(=C(OC(=C3C(=O)OC)CC(=O)OC)N)C#N)OC)C)(N+)(=O)(O)
COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(c(c1)Cn1nc(c(c1C)(N+)(=O)(O))C)OC)C#N)N
InChI=1SC24H25N5O8c11222(29(32)33)13(2)28(2712)1115814(6717(15)343)2016(1025)23(26)3718(919(30)354)21(20)24(31)365h6820H91126H215H3
METHYL6AMINO5CYANO4(3((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)2(2METHOXY2OXOETHYL)4HPYRAN3CARBOXYLATE
METHYL6AMINO5CYANO4(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)2(2METHOXY2OXOETHYL)4HPYRAN3CARBOXYLATE
MFCD01858687
STK081746
ZINC000001833301
ZINC000001833302

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Available files

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