Vitas-M small molecule compound
12-(4-methoxyphenyl)-9,9-dimethyl-2-[(4-methylphenoxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK270627
SMILES COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)COc1ccc(cc1)C)CC(CC2=O)(C)C
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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 C29H28N4O4 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4/c1-17-5-9-20(10-6-17)36-15-23-31-27-26-24(18-7-11-19(35-4)12-8-18)25-21(34)13-29(2,3)14-22(25)37-28(26)30-16-33(27)32-23/h5-12,16,24H,13-15H2,1-4H3InChIKey
VKPMRSIMFPUQJA-UHFFFAOYSA-NSynonyms
846600-24-612(4methoxyphenyl)99dimethyl2((4methylphenoxy)methyl)891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
12(4methoxyphenyl)99dimethyl2((ptolyloxy)methyl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
846600246
CC1=CC=C(C=C1)OCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)CC(CC5=O)(C)C)C6=CC=C(C=C6)OC
InChI=1SC29H28N4O4c1175920(10617)36152331272624(1871119(354)12818)2521(34)1329(23)1422(25)3728(26)301633(27)3223h5121624H1315H214H3
MFCD04177175
ZINC000002329152
ZINC000002329154
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