Vitas-M small molecule compound
methyl 7-[2-(benzyloxy)-5-bromophenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK980402
SMILES COC(=O)C1=C(C)Nc2n(C1c1cc(Br)ccc1OCc1ccccc1)ncn2
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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 C21H19BrN4O3 MW 455.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O3/c1-13-18(20(27)28-2)19(26-21(25-13)23-12-24-26)16-10-15(22)8-9-17(16)29-11-14-6-4-3-5-7-14/h3-10,12,19H,11H2,1-2H3,(H,23,24,25)InChIKey
DIEDCLGSAULADL-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=CN2)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)OC
InChI=1SC21H19BrN4O3c11318(20(27)282)19(2621(2513)23122426)161015(22)8917(16)2911146435714h3101219H11H212H3(H232425)
methyl7(2(benzyloxy)5bromophenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
METHYL7(5BROMO2(PHENYLMETHOXY)PHENYL)5METHYL478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
METHYL7(5BROMO2PHENYLMETHOXYPHENYL)5METHYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
MFCD03619677
ZINC000000959034
ZINC000000959035
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