Vitas-M small molecule compound

methyl 4-[6-amino-1-(3-chlorophenyl)-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate

Catalog ID
STK051741
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(C)nn2c1cccc(c1)Cl)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 C22H17ClN4O3 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O3/c1-12-18-19(13-6-8-14(9-7-13)22(28)29-2)17(11-24)20(25)30-21(18)27(26-12)16-5-3-4-15(23)10-16/h3-10,19H,25H2,1-2H3
InChIKey
QRJUOHPYKQJKRH-UHFFFAOYSA-N
Synonyms
327067-26-5
327067265
CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(=O)OC)C4=CC(=CC=C4)Cl
COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(C)nn2c1cccc(c1)Cl)C#N
InChI=1SC22H17ClN4O3c1121819(136814(9713)22(28)292)17(1124)20(25)3021(18)27(2612)1653415(23)1016h31019H25H212H3
METHYL4(6AMINO1(3CHLOROPHENYL)5CYANO3METHYL14DIHYDROPYRANO(23C)PYRAZOL4YL)BENZOATE
METHYL4(6AMINO1(3CHLOROPHENYL)5CYANO3METHYL4HPYRANO(23C)PYRAZOL4YL)BENZOATE
METHYL4(6AMINO1(3CHLOROPHENYL)5CYANO3METHYL4HPYRANO(32D)PYRAZOL4YL)BENZOATE
MFCD01835824
STK051741
ZINC000001026283
ZINC000001026286

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Available files

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