Vitas-M small molecule compound

methyl 6-amino-5-cyano-4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-methyl-4H-pyran-3-carboxylate

Catalog ID
STK959495
SMILES COC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)[N+](=O)[O-])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 C23H21N3O7 MW 451.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O7/c1-13-20(23(27)31-3)21(17(11-24)22(25)33-13)15-6-9-18(19(10-15)30-2)32-12-14-4-7-16(8-5-14)26(28)29/h4-10,21H,12,25H2,1-3H3
InChIKey
AQIMIKHBSBFWRP-UHFFFAOYSA-N
Synonyms
398136-17-9
398136179
CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))OC)C(=O)OC
COC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)(N+)(=O)(O))C#N)N
InChI=1SC23H21N3O7c11320(23(27)313)21(17(1124)22(25)3313)156918(19(1015)302)3212144716(8514)26(28)29h41021H1225H213H3
methyl6amino5cyano4(3methoxy4((4nitrobenzyl)oxy)phenyl)2methyl4Hpyran3carboxylate
METHYL6AMINO5CYANO4(3METHOXY4((4NITROPHENYL)METHOXY)PHENYL)2METHYL4HPYRAN3CARBOXYLATE
METHYL6AMINO5CYANO4(4((4NITROBENZYL)OXY)3METHOXYPHENYL)2METHYL4HPYRAN3CARBOXYLATE
MFCD02175245
ZINC000000654746
ZINC000000654748

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Available files

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