Vitas-M small molecule compound
12-(3,4-dimethoxyphenyl)-2-[(4-methylphenoxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Catalog ID
STK568746
SMILES COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)COc1ccc(cc1)C)[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 C28H24N4O5 MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O5/c1-16-4-8-19(9-5-16)36-14-24-30-27-26-25(17-6-11-21(34-2)23(12-17)35-3)20-10-7-18(33)13-22(20)37-28(26)29-15-32(27)31-24/h4-13,15,25,33H,14H2,1-3H3InChIKey
ILIVBABNOYKMSY-UHFFFAOYSA-NSynonyms
844860-90-812(34dimethoxyphenyl)2((4methylphenoxy)methyl)12Hchromeno(32e)(124)triazolo(15c)pyrimidin3ium9olate
CC1=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(cc1OC)C1c2ccc(cc2Oc2c1c1nc((nH+)n1cn2)COc1ccc(cc1)C)(O)
InChI=1SC28H24N4O5c1164819(9516)36142430272625(1761121(342)23(1217)353)2010718(33)1322(20)3728(26)291532(27)3124h413152533H14H213H3
MFCD04165498
ZINC000009281207
ZINC000009281208
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