Vitas-M small molecule compound
9,9-dimethyl-2-[(2-methylphenoxy)methyl]-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STL238071
SMILES O=C1CC(C)(C)CC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)COc1ccccc1C
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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 C28H26N4O3 MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3/c1-17-9-7-8-12-20(17)34-15-22-30-26-25-23(18-10-5-4-6-11-18)24-19(33)13-28(2,3)14-21(24)35-27(25)29-16-32(26)31-22/h4-12,16,23H,13-15H2,1-3H3InChIKey
SQJTZLHGWBOXCL-UHFFFAOYSA-NSynonyms
845635-45-2845635452
99dimethyl12phenyl2((otolyloxy)methyl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
99dimethyl2((2methylphenoxy)methyl)12phenyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
CC1=CC=CC=C1OCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)CC(CC5=O)(C)C)C6=CC=CC=C6
InChI=1SC28H26N4O3c1179781220(17)34152230262523(18105461118)2419(33)1328(23)1421(24)3527(25)291632(26)3122h4121623H1315H213H3
MFCD04167123
ZINC000002413867
ZINC000002413868
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