Vitas-M small molecule compound
2-benzyl-9,9-dimethyl-12-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK596971
SMILES O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)Cc1ccccc1
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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 C26H23N5O2 MW 437.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O2/c1-26(2)12-18(32)22-19(13-26)33-25-23(21(22)17-9-6-10-27-14-17)24-29-20(30-31(24)15-28-25)11-16-7-4-3-5-8-16/h3-10,14-15,21H,11-13H2,1-2H3InChIKey
NVVBPUMWABIXIW-UHFFFAOYSA-NSynonyms
879586-45-52benzyl99dimethyl12(pyridin3yl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2benzyl99dimethyl12(pyridin3yl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
879586455
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CC5=CC=CC=C5)C6=CN=CC=C6)C(=O)C1)C
InChI=1SC26H23N5O2c126(2)1218(32)2219(1326)332523(21(22)179610271417)242920(3031(24)152825)11167435816h310141521H1113H212H3
MFCD06790759
ZINC000008994786
ZINC000008994787
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