Vitas-M small molecule compound
ethyl 7-(1,3-benzodioxol-5-yl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK121163
SMILES CCOC(=O)C1=C(Nc2n(C1c1ccc3c(c1)OCO3)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 C21H18N4O4 MW 390.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4/c1-2-27-20(26)17-18(13-6-4-3-5-7-13)24-21-22-11-23-25(21)19(17)14-8-9-15-16(10-14)29-12-28-15/h3-11,19H,2,12H2,1H3,(H,22,23,24)InChIKey
YENNMAHIHWJEKX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5
ETHYL7(13BENZODIOXOL5YL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(13BENZODIOXOL5YL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC21H18N4O4c122720(26)1718(136435713)242122112325(21)19(17)14891516(1014)29122815h31119H212H21H3(H222324)
MFCD04166281
ZINC000000803071
ZINC000000803072
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