Vitas-M small molecule compound
methyl 7-(5-bromo-2-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL420566
SMILES COC(=O)C1=C(Nc2n(C1c1cc(Br)ccc1OC)ncn2)c1ccccc1
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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 C20H17BrN4O3 MW 441.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN4O3/c1-27-15-9-8-13(21)10-14(15)18-16(19(26)28-2)17(12-6-4-3-5-7-12)24-20-22-11-23-25(18)20/h3-11,18H,1-2H3,(H,22,23,24)InChIKey
HZIOHETURKBDRS-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)Br)C2C(=C(N=C3N2NC=N3)C4=CC=CC=C4)C(=O)OC
InChI=1SC20H17BrN4O3c127159813(21)1014(15)1816(19(26)282)17(126435712)242022112325(18)20h31118H12H3(H222324)
METHYL7(5BROMO2METHOXYPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
methyl7(5bromo2methoxyphenyl)5phenyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
MFCD06001391
ZINC000001057783
ZINC000001057784
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