Vitas-M small molecule compound

6-amino-4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Catalog ID
STK960699
SMILES N#CC1=C(N)Oc2c(C1c1ccc(c(c1)COc1ccccc1Br)OC)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 C22H19BrN4O3 MW 467.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O3/c1-12-19-20(15(10-24)21(25)30-22(19)27-26-12)13-7-8-17(28-2)14(9-13)11-29-18-6-4-3-5-16(18)23/h3-9,20H,11,25H2,1-2H3,(H,26,27)
InChIKey
RUHRBGHPAJUVFV-UHFFFAOYSA-N
Synonyms
515848-88-1
515848881
6amino4(3((2bromophenoxy)methyl)4methoxyphenyl)3methyl14dihydropyrano(23c)pyrazole5carbonitrile
6AMINO4(3((2BROMOPHENOXY)METHYL)4METHOXYPHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
6AMINO4(3((2BROMOPHENOXY)METHYL)4METHOXYPHENYL)3METHYL4HPYRANO(23C)PYRAZOLE5CARBONITRILE
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Br
InChI=1SC22H19BrN4O3c1121920(15(1024)21(25)3022(19)272612)137817(282)14(913)112918643516(18)23h3920H1125H212H3(H2627)
MFCD02175701
N#CC1=C(N)Oc2c(C1c1ccc(c(c1)COc1ccccc1Br)OC)c(C)n(nH)2
ZINC000000660123
ZINC000000660127

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Available files

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