Vitas-M small molecule compound
octahydro-2H-quinolizin-1-ylmethyl 5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Catalog ID
STK683176
SMILES O=C(c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc2c(c1)OCO2)OCC1CCCN2C1CCCC2
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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 C25H25F3N4O4 MW 502.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25F3N4O4/c26-25(27,28)22-11-17(15-6-7-20-21(10-15)36-14-35-20)29-23-12-18(30-32(22)23)24(33)34-13-16-4-3-9-31-8-2-1-5-19(16)31/h6-7,10-12,16,19H,1-5,8-9,13-14H2InChIKey
BHJLXMGVZGASSY-UHFFFAOYSA-NSynonyms
23467899aoctahydro1Hquinolizin1ylmethyl5(13benzodioxol5yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxylate
C1CCN2CCCC(C2C1)COC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC6=C(C=C5)OCO6)C(F)(F)F
InChI=1SC25H25F3N4O4c2625(2728)221117(15672021(1015)36143520)29231218(3032(22)23)24(33)34131643931821519(16)31h6710121619H15891314H2
MFCD05256964
octahydro2Hquinolizin1ylmethyl5(13benzodioxol5yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxylate
ZINC000012375221
ZINC000015318868
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