Vitas-M small molecule compound

4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenolate

Catalog ID
STL041328
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CSc2nncn2C)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 C17H17N11O4S MW 471.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N11O4S/c1-27-8-20-23-17(27)33-7-10-13(21-26-28(10)15-14(18)24-32-25-15)16(30)22-19-6-9-3-4-11(29)12(5-9)31-2/h3-6,8,29H,7H2,1-2H3,(H2,18,24)(H,22,30)/b19-6+
InChIKey
LJLWJHQGEJLEGU-KPSZGOFPSA-N
Synonyms
861633-82-1
4((E)((1(4azaniumyl125oxadiazol3yl)5((4methyl124triazol3yl)sulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)2methoxyphenolate
4((E)(2((1(4ammonio125oxadiazol3yl)5(((4methyl4H124triazol3yl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenolate
861633821
CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3(NH3+))C(=O)NN=CC4=CC(=C(C=C4)(O))OC
COc1cc(C=NNC(=O)c2nnn(c2CSc2nncn2C)c2nonc2(NH3+))ccc1(O)
InChI=1SC17H17N11O4Sc1278202317(27)3371013(212628(10)1514(18)24322515)16(30)2219693411(29)12(59)312h36829H7H212H3(H21824)(H2230)b196+
MFCD05685080
ZINC000009350316

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Available files

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