Vitas-M small molecule compound

methyl 5-{[4-(6-amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl}furan-2-carboxylate

Catalog ID
STK074316
SMILES CCOc1cc(ccc1OCc1ccc(o1)C(=O)OC)C1C(=C(N)Oc2c1c(C)n[nH]2)C#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 C23H22N4O6 MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O6/c1-4-30-18-9-13(20-15(10-24)21(25)33-22-19(20)12(2)26-27-22)5-7-16(18)31-11-14-6-8-17(32-14)23(28)29-3/h5-9,20H,4,11,25H2,1-3H3,(H,26,27)
InChIKey
QEJYBWQHYMMGSD-UHFFFAOYSA-N
Synonyms
364608-90-2
364608902
CCOC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C)N)C#N)OCC4=CC=C(O4)C(=O)OC
CCOc1cc(ccc1OCc1ccc(o1)C(=O)OC)C1C(=C(N)Oc2c1c(C)n(nH)2)C#N
InChI=1SC23H22N4O6c143018913(2015(1024)21(25)332219(20)12(2)262722)5716(18)3111146817(3214)23(28)293h5920H41125H213H3(H2627)
METHYL5((4((4R)6AMINO5CYANO3METHYL24DIHYDROPYRANO(23C)PYRAZOL4YL)2ETHOXYPHENOXY)METHYL)FURAN2CARBOXYLATE
METHYL5((4(6AMINO5CYANO3METHYL(4HPYRANO(32D)PYRAZOL4YL))2ETHOXYPHENOXY)METHYL)FURAN2CARBOXYLATE
METHYL5((4(6AMINO5CYANO3METHYL14DIHYDROPYRANO(23C)PYRAZOL4YL)2ETHOXYPHENOXY)METHYL)FURAN2CARBOXYLATE
METHYL5((4(6AMINO5CYANO3METHYL24DIHYDROPYRANO(23C)PYRAZOL4YL)2ETHOXYPHENOXY)METHYL)FURAN2CARBOXYLATE
MFCD02631357
STK074316
ZINC000009015376
ZINC000009015377

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Available files

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