Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenolate
Catalog ID
STL056575
SMILES Clc1ccc(cc1)SCc1c(nnn1c1nonc1[NH3+])C(=O)N/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 C19H15ClN8O3S MW 470.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN8O3S/c20-12-5-7-13(8-6-12)32-10-14-16(23-27-28(14)18-17(21)25-31-26-18)19(30)24-22-9-11-3-1-2-4-15(11)29/h1-9,29H,10H2,(H2,21,25)(H,24,30)/b22-9+InChIKey
QLIXHOXKOJUEGD-LSFURLLWSA-NSynonyms
849825-39-42((E)((1(4azaniumyl125oxadiazol3yl)5((4chlorophenyl)sulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)phenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5(((4chlorophenyl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
849825394
C1=CC=C(C(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3(NH3+))CSC4=CC=C(C=C4)Cl)(O)
Clc1ccc(cc1)SCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1ccccc1(O)
InChI=1SC19H15ClN8O3Sc20125713(8612)32101416(232728(14)1817(21)25312618)19(30)2422911312415(11)29h1929H10H2(H22125)(H2430)b229+
MFCD05688057
ZINC000002554687
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