Vitas-M small molecule compound

2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-6-(tetrahydrofuran-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Catalog ID
STK166688
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C(=C(N)Oc2c1c(=O)n(c(c2)C)CC1CCCO1)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 C30H30ClN3O5 MW 548.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClN3O5/c1-3-36-25-14-20(8-11-24(25)38-17-19-6-9-21(31)10-7-19)27-23(15-32)29(33)39-26-13-18(2)34(30(35)28(26)27)16-22-5-4-12-37-22/h6-11,13-14,22,27H,3-5,12,16-17,33H2,1-2H3
InChIKey
VREPLLZQHMHZGD-UHFFFAOYSA-N
Synonyms

2AMINO4(4((4CHLOROBENZYL)OXY)3ETHOXYPHENYL)7METHYL5OXO6(TETRAHYDROFURAN2YLMETHYL)56DIHYDRO4HPYRANO(32C)PYRIDINE3CARBONITRILE
2AMINO4(4((4CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)7METHYL5OXO6(OXOLAN2YLMETHYL)4HPYRANO(32C)PYRIDINE3CARBONITRILE
2AMINO4(4((4CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)7METHYL5OXO6(OXOLAN2YLMETHYL)6HYDRO4HPYRANO(32C)PYRIDINE3CARBONITRILE
CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)N(C(=C3)C)CC4CCCO4)N)C#N)OCC5=CC=C(C=C5)Cl
InChI=1SC30H30ClN3O5c1336251420(81124(25)3817196921(31)10719)2723(1532)29(33)39261318(2)34(30(35)28(26)27)162254123722h61113142227H3512161733H212H3
MFCD06250429
ZINC000098045563
ZINC000098045566

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Available files

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