Vitas-M small molecule compound
ethyl 7-(5-bromo-2-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK130133
SMILES CCOC(=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 C21H19BrN4O3 MW 455.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O3/c1-3-29-20(27)17-18(13-7-5-4-6-8-13)25-21-23-12-24-26(21)19(17)15-11-14(22)9-10-16(15)28-2/h4-12,19H,3H2,1-2H3,(H,23,24,25)InChIKey
ROQVFXBQKBBLIR-UHFFFAOYSA-NSynonyms
755014-94-9755014949
CCOC(=O)C1=C(N=C2N=CNN2C1C3=C(C=CC(=C3)Br)OC)C4=CC=CC=C4
ETHYL7(5BROMO2METHOXYPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(5BROMO2METHOXYPHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC21H19BrN4O3c132920(27)1718(137546813)252123122426(21)19(17)151114(22)91016(15)282h41219H3H212H3(H232425)
MFCD04159346
ZINC000009215930
ZINC000009215933
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