Vitas-M small molecule compound
3-[(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]phenolate
Catalog ID
STL049759
SMILES [O-]c1cccc(c1)/C=N/NC(=O)c1nnn(c1c1cccs1)c1nonc1[NH3+]
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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 C16H12N8O3S MW 396.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N8O3S/c17-14-15(22-27-21-14)24-13(11-5-2-6-28-11)12(19-23-24)16(26)20-18-8-9-3-1-4-10(25)7-9/h1-8,25H,(H2,17,21)(H,20,26)/b18-8+InChIKey
GNAXFIQNKVAJOW-QGMBQPNBSA-NSynonyms
849026-48-8(O)c1cccc(c1)C=NNC(=O)c1nnn(c1c1cccs1)c1nonc1(NH3+)
1(4AMINO125OXADIAZOL3YL)N((E)(3HYDROXYPHENYL)METHYLIDENEAMINO)5THIOPHEN2YLTRIAZOLE4CARBOXAMIDE
3((E)((1(4azaniumyl125oxadiazol3yl)5thiophen2yltriazole4carbonyl)hydrazinylidene)methyl)phenolate
3((E)(2((1(4ammonio125oxadiazol3yl)5(thiophen2yl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
849026488
C1=CC(=CC(=C1)(O))C=NNC(=O)C2=C(N(N=N2)C3=NON=C3(NH3+))C4=CC=CS4
InChI=1SC16H12N8O3Sc171415(22272114)2413(115262811)12(192324)16(26)20188931410(25)79h1825H(H21721)(H2026)b188+
MFCD05681414
ZINC000001790668
ZINC33343930
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