Vitas-M small molecule compound

6-amino-4-[4-(benzyloxy)-3-ethoxyphenyl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK871968
SMILES CCOc1cc(ccc1OCc1ccccc1)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 C23H22N4O3 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3/c1-3-28-19-11-16(9-10-18(19)29-13-15-7-5-4-6-8-15)21-17(12-24)22(25)30-23-20(21)14(2)26-27-23/h4-11,21H,3,13,25H2,1-2H3,(H,26,27)
InChIKey
HNWOJJLLTFKKLJ-UHFFFAOYSA-N
Synonyms
315244-98-5
315244985
6AMINO4(3ETHOXY4(PHENYLMETHOXY)PHENYL)3METHYL4HPYRANO(32D)PYRAZOLE5CARBONITRILE
6AMINO4(3ETHOXY4PHENYLMETHOXYPHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6amino4(4(benzyloxy)3ethoxyphenyl)3methyl14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(4(BENZYLOXY)3ETHOXYPHENYL)3METHYL1H4HPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(4BENZYLOXY3ETHOXYPHENYL)3METHYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CCOC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C)N)C#N)OCC4=CC=CC=C4
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(N)Oc2c1c(C)n(nH)2)C#N
InChI=1SC23H22N4O3c1328191116(91018(19)2913157546815)2117(1224)22(25)302320(21)14(2)262723h41121H31325H212H3(H2627)
MFCD01957837
ZINC000008845702
ZINC000008845703

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Available files

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