Vitas-M small molecule compound
12-(3,4-dimethoxyphenyl)-2-[(2,6-dimethylphenoxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Catalog ID
STL054182
SMILES COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)COc1c(C)cccc1C)[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 C29H26N4O5 MW 510.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O5/c1-16-6-5-7-17(2)27(16)37-14-24-31-28-26-25(18-8-11-21(35-3)23(12-18)36-4)20-10-9-19(34)13-22(20)38-29(26)30-15-33(28)32-24/h5-13,15,25,34H,14H2,1-4H3InChIKey
QEMFTYKWPJTKBC-UHFFFAOYSA-NSynonyms
844855-94-312(34dimethoxyphenyl)2((26dimethylphenoxy)methyl)12Hchromeno(32e)(124)triazolo(15c)pyrimidin3ium9olate
844855943
COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc((nH+)n1cn2)COc1c(C)cccc1C)(O)
MFCD04165016
ZINC000009361411
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