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-ethoxyphenolate

Catalog ID
STK567940
SMILES CCOc1cc(/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 C18H19N11O4S MW 485.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N11O4S/c1-3-32-13-6-10(4-5-12(13)30)7-20-23-17(31)14-11(8-34-18-24-21-9-28(18)2)29(27-22-14)16-15(19)25-33-26-16/h4-7,9,30H,3,8H2,1-2H3,(H2,19,25)(H,23,31)/b20-7+
InChIKey
ALBNIAMUYKHYSO-IFRROFPPSA-N
Synonyms

4((E)((1(4azaniumyl125oxadiazol3yl)5((4methyl124triazol3yl)sulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)2ethoxyphenolate
4((E)(2((1(4ammonio125oxadiazol3yl)5(((4methyl4H124triazol3yl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2ethoxyphenolate
848987451
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3(NH3+))CSC4=NN=CN4C)(O)
CCOc1cc(C=NNC(=O)c2nnn(c2CSc2nncn2C)c2nonc2(NH3+))ccc1(O)
InChI=1SC18H19N11O4Sc133213610(4512(13)30)7202317(31)1411(834182421928(18)2)29(272214)1615(19)25332616h47930H38H212H3(H21925)(H2331)b207+
MFCD05678600
ZINC000009233448

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Available files

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