Vitas-M small molecule compound
12-(3,4-dimethoxyphenyl)-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Catalog ID
STL056063
SMILES COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)CO/N=C/c1ccccc1)[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 C28H23N5O5 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O5/c1-35-21-11-8-18(12-23(21)36-2)25-20-10-9-19(34)13-22(20)38-28-26(25)27-31-24(32-33(27)16-29-28)15-37-30-14-17-6-4-3-5-7-17/h3-14,16,25,34H,15H2,1-2H3/b30-14+InChIKey
VCXPKMQZIOACKD-AMVVHIIESA-NSynonyms
847047-28-312(34dimethoxyphenyl)2(((((E)phenylmethylidene)amino)oxy)methyl)12Hchromeno(32e)(124)triazolo(15c)pyrimidin3ium9olate
847047283
COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc((nH+)n1cn2)CON=Cc1ccccc1)(O)
MFCD04182285
ZINC000009159317
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