Vitas-M small molecule compound

benzyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Catalog ID
STL191356
SMILES FC(Oc1ccc(cc1C1C(=C(C)Nc2n1ncn2)C(=O)OCc1ccccc1)Br)F

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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 C21H17BrF2N4O3 MW 491.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrF2N4O3/c1-12-17(19(29)30-10-13-5-3-2-4-6-13)18(28-21(27-12)25-11-26-28)15-9-14(22)7-8-16(15)31-20(23)24/h2-9,11,18,20H,10H2,1H3,(H,25,26,27)
InChIKey
ANGHIILTLFLYMH-UHFFFAOYSA-N
Synonyms

benzyl7(5bromo2(difluoromethoxy)phenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
benzyl7(5bromo2(difluoromethoxy)phenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
CC1=C(C(N2C(=N1)N=CN2)C3=C(C=CC(=C3)Br)OC(F)F)C(=O)OCC4=CC=CC=C4
InChI=1SC21H17BrF2N4O3c11217(19(29)3010135324613)18(2821(2712)25112628)15914(22)7816(15)3120(23)24h29111820H10H21H3(H252627)
MFCD14770118
ZINC000020281739
ZINC000020281744

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Available files

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