Vitas-M small molecule compound
2-[(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]-4-chlorophenolate
Catalog ID
STL048883
SMILES Clc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1c1cccs1)c1nonc1[NH3+])[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 C16H11ClN8O3S MW 430.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN8O3S/c17-9-3-4-10(26)8(6-9)7-19-21-16(27)12-13(11-2-1-5-29-11)25(24-20-12)15-14(18)22-28-23-15/h1-7,26H,(H2,18,22)(H,21,27)/b19-7+InChIKey
SPOJTCYHGFPAOZ-FBCYGCLPSA-NSynonyms
861123-37-72((E)((1(4azaniumyl125oxadiazol3yl)5thiophen2yltriazole4carbonyl)hydrazinylidene)methyl)4chlorophenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5(thiophen2yl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4chlorophenolate
861123377
C1=CSC(=C1)C2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=CC4=C(C=CC(=C4)Cl)(O)
Clc1ccc(c(c1)C=NNC(=O)c1nnn(c1c1cccs1)c1nonc1(NH3+))(O)
InChI=1SC16H11ClN8O3Sc1793410(26)8(69)7192116(27)1213(112152911)25(242012)1514(18)22282315h1726H(H21822)(H2127)b197+
MFCD05683526
ZINC000001772671
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