Vitas-M small molecule compound

3-[6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl morpholine-4-carboxylate

Catalog ID
STK766293
SMILES CCOc1ccc(cc1OC)c1n[nH]c2c1C(c1cccc(c1)OC(=O)N1CCOCC1)C(=C(O2)N)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 C27H27N5O6 MW 517.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O6/c1-3-36-20-8-7-17(14-21(20)34-2)24-23-22(19(15-28)25(29)38-26(23)31-30-24)16-5-4-6-18(13-16)37-27(33)32-9-11-35-12-10-32/h4-8,13-14,22H,3,9-12,29H2,1-2H3,(H,30,31)
InChIKey
WLABRUSUWRMOAQ-UHFFFAOYSA-N
Synonyms

(3(6AMINO5CYANO3(4ETHOXY3METHOXYPHENYL)24DIHYDROPYRANO(23C)PYRAZOL4YL)PHENYL)MORPHOLINE4CARBOXYLATE
3(6amino5cyano3(4ethoxy3methoxyphenyl)14dihydropyrano(23c)pyrazol4yl)phenylmorpholine4carboxylate
3(6AMINO5CYANO3(4ETHOXY3METHOXYPHENYL)4HPYRANO(32D)PYRAZOL4YL)PHENYLMORPHOLINE4CARBOXYLATE
CCOC1=C(C=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=CC=C4)OC(=O)N5CCOCC5)OC
CCOc1ccc(cc1OC)c1n(nH)c2c1C(c1cccc(c1)OC(=O)N1CCOCC1)C(=C(O2)N)C#N
InChI=1SC27H27N5O6c1336208717(1421(20)342)242322(19(1528)25(29)3826(23)313024)1654618(1316)3727(33)3291135121032h48131422H391229H212H3(H3031)
MFCD03035986
ZINC000001087856
ZINC000001087857

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Available files

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