Vitas-M small molecule compound
3-[(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]phenolate
Catalog ID
STL050702
SMILES [O-]c1cccc(c1)/C=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1[NH3+]
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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 C16H15N11O3S MW 441.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N11O3S/c1-26-8-19-22-16(26)31-7-11-12(20-25-27(11)14-13(17)23-30-24-14)15(29)21-18-6-9-3-2-4-10(28)5-9/h2-6,8,28H,7H2,1H3,(H2,17,23)(H,21,29)/b18-6+InChIKey
QIFCTCJFZLQKTJ-NGYBGAFCSA-NSynonyms
849825-59-8(O)c1cccc(c1)C=NNC(=O)c1nnn(c1CSc1nncn1C)c1nonc1(NH3+)
1(4AMINO125OXADIAZOL3YL)N((E)(3HYDROXYPHENYL)METHYLIDENEAMINO)5((4METHYL124TRIAZOL3YL)SULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
3((E)(2((1(4ammonio125oxadiazol3yl)5(((4methyl4H124triazol3yl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenolate
849825598
CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)O
InChI=1SC16H15N11O3Sc1268192216(26)3171112(202527(11)1413(17)23302414)15(29)21186932410(28)59h26828H7H21H3(H21723)(H2129)b186+
MFCD05688075
ZINC000002604572
ZINC33374551
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