Vitas-M small molecule compound

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

Catalog ID
STK017265
SMILES N#CC1=C(N)Oc2c(C1c1cc(Br)ccc1OCc1ccccc1)c(C)n[nH]2

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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 C21H17BrN4O2 MW 437.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O2/c1-12-18-19(16(10-23)20(24)28-21(18)26-25-12)15-9-14(22)7-8-17(15)27-11-13-5-3-2-4-6-13/h2-9,19H,11,24H2,1H3,(H,25,26)
InChIKey
PFVBRYAFVFDIQU-UHFFFAOYSA-N
Synonyms
315244-84-9
315244849
6AMINO4(2(BENZYLOXY)5BROMOPHENYL)3METHYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(2(BENZYLOXY)5BROMOPHENYL)3METHYL1H4HPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(2BENZYLOXY5BROMOPHENYL)3METHYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(5BROMO2(PHENYLMETHOXY)PHENYL)3METHYL4HPYRANO(32D)PYRAZOLE5CARBONITRILE
6AMINO4(5BROMO2PHENYLMETHOXYPHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4
InChI=1SC21H17BrN4O2c1121819(16(1023)20(24)2821(18)262512)15914(22)7817(15)2711135324613h2919H1124H21H3(H2526)
MFCD01958038
N#CC1=C(N)Oc2c(C1c1cc(Br)ccc1OCc1ccccc1)c(C)n(nH)2
STK017265
ZINC000032534137
ZINC000032534139

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Available files

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