Vitas-M small molecule compound
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Catalog ID
STL492923
SMILES COc1c(OC)cc(cc1OC)c1nc2n(n1)c(ccn2)c1ccc2c(c1)OCCCO2
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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 C23H22N4O5 MW 434.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O5/c1-28-19-12-15(13-20(29-2)21(19)30-3)22-25-23-24-8-7-16(27(23)26-22)14-5-6-17-18(11-14)32-10-4-9-31-17/h5-8,11-13H,4,9-10H2,1-3H3InChIKey
KLJAKIJKMNZTEW-UHFFFAOYSA-NSynonyms
7(34dihydro2H15benzodioxepin7yl)2(345trimethoxyphenyl)(124)triazolo(15a)pyrimidine
7(34dihydro2Hbenzo(b)(14)dioxepin7yl)2(345trimethoxyphenyl)(124)triazolo(15a)pyrimidine
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=CC=NC3=N2)C4=CC5=C(C=C4)OCCCO5
InChI=1SC23H22N4O5c128191215(1320(292)21(19)303)222523248716(27(23)2622)14561718(1114)3210493117h581113H4910H213H3
MFCD29057104
ZINC000253408156
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