Vitas-M small molecule compound
2-cyclohexyl-7-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Catalog ID
STL199029
SMILES O=c1n(ccc2c1cnc1n2nc(n1)C1CCCCC1)c1ccc2c(c1)OCCO2
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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 C22H21N5O3 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3/c28-21-16-13-23-22-24-20(14-4-2-1-3-5-14)25-27(22)17(16)8-9-26(21)15-6-7-18-19(12-15)30-11-10-29-18/h6-9,12-14H,1-5,10-11H2InChIKey
XVWVHDOKTCRHPD-UHFFFAOYSA-NSynonyms
2cyclohexyl7(23dihydro14benzodioxin6yl)pyrido(34e)(124)triazolo(15a)pyrimidin6(7H)one
C1CCC(CC1)C2=NN3C4=C(C=NC3=N2)C(=O)N(C=C4)C5=CC6=C(C=C5)OCCO6
InChI=1SC22H21N5O3c2821161323222420(144213514)2527(22)17(16)8926(21)15671819(1215)3011102918h691214H151011H2
MFCD20503653
ZINC000071375871
ZINC71375871
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