Vitas-M small molecule compound
2-[(2,3-dimethylphenoxy)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK270369
SMILES O=C1CC(C)(C)CC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)COc1cccc(c1C)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 C29H28N4O3 MW 480.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O3/c1-17-9-8-12-21(18(17)2)35-15-23-31-27-26-24(19-10-6-5-7-11-19)25-20(34)13-29(3,4)14-22(25)36-28(26)30-16-33(27)32-23/h5-12,16,24H,13-15H2,1-4H3InChIKey
HJHCBYFJLGIWKU-UHFFFAOYSA-NSynonyms
847367-64-02((23dimethylphenoxy)methyl)99dimethyl12phenyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2((23dimethylphenoxy)methyl)99dimethyl12phenyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
847367640
CC1=C(C(=CC=C1)OCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)CC(CC5=O)(C)C)C6=CC=CC=C6)C
InChI=1SC29H28N4O3c117981221(18(17)2)35152331272624(19106571119)2520(34)1329(34)1422(25)3628(26)301633(27)3223h5121624H1315H214H3
MFCD04180811
ZINC000002234698
ZINC000002234700
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