Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenolate
Catalog ID
STL054285
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2c2cccs2)c2nonc2[NH3+])ccc1[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 C17H14N8O4S MW 426.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N8O4S/c1-28-11-7-9(4-5-10(11)26)8-19-21-17(27)13-14(12-3-2-6-30-12)25(24-20-13)16-15(18)22-29-23-16/h2-8,26H,1H3,(H2,18,22)(H,21,27)/b19-8+InChIKey
TZGRGDVIMXEUPA-UFWORHAWSA-NSynonyms
849010-02-24((E)((1(4azaniumyl125oxadiazol3yl)5thiophen2yltriazole4carbonyl)hydrazinylidene)methyl)2methoxyphenolate
4((E)(2((1(4ammonio125oxadiazol3yl)5(thiophen2yl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenolate
849010022
COC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3(NH3+))C4=CC=CS4)(O)
COc1cc(C=NNC(=O)c2nnn(c2c2cccs2)c2nonc2(NH3+))ccc1(O)
InChI=1SC17H14N8O4Sc1281179(4510(11)26)8192117(27)1314(123263012)25(242013)1615(18)22292316h2826H1H3(H21822)(H2127)b198+
MFCD05680526
ZINC000002451090
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