Vitas-M small molecule compound
2,5-bis(acetylamino)-6-(4-methoxyphenyl)-4-oxo-4,5-dihydro-2H-[1,2,3]triazolo[1,5-a]pyrazin-8-ium-3-olate
Catalog ID
STL442187
SMILES COc1ccc(cc1)c1c[n+]2nn(c(c2c(=O)n1NC(=O)C)[O-])NC(=O)C
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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 C16H16N6O5 MW 372.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6O5/c1-9(23)17-21-13(11-4-6-12(27-3)7-5-11)8-20-14(15(21)25)16(26)22(19-20)18-10(2)24/h4-8H,1-3H3,(H2-,17,18,19,23,24,25,26)InChIKey
SWFSLQAPSOCJOB-UHFFFAOYSA-NSynonyms
25bis(acetylamino)6(4methoxyphenyl)4oxo45dihydro2H(123)triazolo(15a)pyrazin8ium3olate
25diacetamido6(4methoxyphenyl)3oxotriazolo(15a)pyrazin8ium4olate
CC(=O)NN1C(=C(N+)2=NN(C(=O)C2=C1(O))NC(=O)C)C3=CC=C(C=C3)OC
COc1ccc(cc1)c1c(n+)2nn(c(c2c(=O)n1NC(=O)C)(O))NC(=O)C
InChI=1SC16H16N6O5c19(23)172113(114612(273)7511)82014(15(21)25)16(26)22(1920)1810(2)24h48H13H3(H217181923242526)
MFCD09992872
ZINC000033436127
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