Vitas-M small molecule compound
3-[(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
STL050096
SMILES Clc1ccc(cc1)SCc1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1cccc(c1)[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/c20-12-4-6-14(7-5-12)32-10-15-16(23-27-28(15)18-17(21)25-31-26-18)19(30)24-22-9-11-2-1-3-13(29)8-11/h1-9,29H,10H2,(H2,21,25)(H,24,30)/b22-9+InChIKey
RLWCQAAFLJEXNO-LSFURLLWSA-NSynonyms
861633-86-51(4AMINO125OXADIAZOL3YL)5((4CHLOROPHENYL)SULFANYLMETHYL)N((E)(3HYDROXYPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
3((E)((1(4azaniumyl125oxadiazol3yl)5((4chlorophenyl)sulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)phenolate
3((E)(2((1(4ammonio125oxadiazol3yl)5(((4chlorophenyl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
861633865
C1=CC(=CC(=C1)(O))C=NNC(=O)C2=C(N(N=N2)C3=NON=C3(NH3+))CSC4=CC=C(C=C4)Cl
Clc1ccc(cc1)SCc1c(nnn1c1nonc1(NH3+))C(=O)NN=Cc1cccc(c1)(O)
InChI=1SC19H15ClN8O3Sc20124614(7512)32101516(232728(15)1817(21)25312618)19(30)242291121313(29)811h1929H10H2(H22125)(H2430)b229+
MFCD05685084
ZINC000001869068
ZINC33345657
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