Vitas-M small molecule compound

3-[(1E)-1-(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)ethyl]phenolate

Catalog ID
STK567477
SMILES [O-]c1cccc(c1)/C(=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1[NH3+])/C

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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 C17H17N11O3S MW 455.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N11O3S/c1-9(10-4-3-5-11(29)6-10)20-22-16(30)13-12(7-32-17-23-19-8-27(17)2)28(26-21-13)15-14(18)24-31-25-15/h3-6,8,29H,7H2,1-2H3,(H2,18,24)(H,22,30)/b20-9+
InChIKey
YAHYVVCFUCCCET-AWQFTUOYSA-N
Synonyms
849006-65-1
(O)c1cccc(c1)C(=NNC(=O)c1nnn(c1CSc1nncn1C)c1nonc1(NH3+))C
1(4AMINO125OXADIAZOL3YL)N((E)1(3HYDROXYPHENYL)ETHYLIDENEAMINO)5((4METHYL124TRIAZOL3YL)SULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
3((1E)1(2((1(4ammonio125oxadiazol3yl)5(((4methyl4H124triazol3yl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)ethyl)phenolate
849006651
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)C4=CC(=CC=C4)O
InChI=1SC17H17N11O3Sc19(1043511(29)610)202216(30)1312(732172319827(17)2)28(262113)1514(18)24312515h36829H7H212H3(H21824)(H2230)b209+
MFCD05680332
ZINC000009235635
ZINC33561591

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Available files

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