Vitas-M small molecule compound
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-7-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Catalog ID
STL494154
SMILES COc1cc(ccc1OC)c1ccnc2n1nc(n2)C1COc2c(O1)cccc2
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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/c1-26-15-8-7-13(11-18(15)27-2)14-9-10-22-21-23-20(24-25(14)21)19-12-28-16-5-3-4-6-17(16)29-19/h3-11,19H,12H2,1-2H3InChIKey
PKKZBQFYBJFMOO-UHFFFAOYSA-NSynonyms
2(23dihydro14benzodioxin2yl)7(34dimethoxyphenyl)(124)triazolo(15a)pyrimidine
2(23dihydro14benzodioxin3yl)7(34dimethoxyphenyl)(124)triazolo(15a)pyrimidine
2(23dihydrobenzo(b)(14)dioxin2yl)7(34dimethoxyphenyl)(124)triazolo(15a)pyrimidine
COC1=C(C=C(C=C1)C2=CC=NC3=NC(=NN23)C4COC5=CC=CC=C5O4)OC
InChI=1SC21H18N4O4c126158713(1118(15)272)1491022212320(2425(14)21)19122816534617(16)2919h31119H12H212H3
MFCD29058353
ZINC000253411952
ZINC000253411953
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