Vitas-M small molecule compound
12-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenoxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Catalog ID
STL048828
SMILES COc1ccc(cc1)OCc1nc2n([nH+]1)cnc1c2C(c2ccc(c(c2)OC)OC)c2c(O1)cc(cc2)[O-]
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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 C28H24N4O6 MW 512.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O6/c1-34-18-6-8-19(9-7-18)37-14-24-30-27-26-25(16-4-11-21(35-2)23(12-16)36-3)20-10-5-17(33)13-22(20)38-28(26)29-15-32(27)31-24/h4-13,15,25,33H,14H2,1-3H3InChIKey
MRLHZTMFBZHMOZ-UHFFFAOYSA-NSynonyms
846588-07-612(34dimethoxyphenyl)2((4methoxyphenoxy)methyl)12Hchromeno(32e)(124)triazolo(15c)pyrimidin3ium9olate
846588076
COC1=CC=C(C=C1)OCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C=C(C=C5)O)C6=CC(=C(C=C6)OC)OC
COc1ccc(cc1)OCc1nc2n((nH+)1)cnc1c2C(c2ccc(c(c2)OC)OC)c2c(O1)cc(cc2)(O)
InChI=1SC28H24N4O6c134186819(9718)37142430272625(1641121(352)23(1216)363)2010517(33)1322(20)3828(26)291532(27)3124h413152533H14H213H3
MFCD04177877
ZINC000009158064
ZINC000009158065
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