Vitas-M small molecule compound
2-{(E)-[2-({1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-6-methoxyphenolate
Catalog ID
STL051212
SMILES COc1cccc(c1[O-])/C=N/NC(=O)c1nnn(c1CSc1ccccc1)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 C20H18N8O4S MW 466.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O4S/c1-31-15-9-5-6-12(17(15)29)10-22-24-20(30)16-14(11-33-13-7-3-2-4-8-13)28(27-23-16)19-18(21)25-32-26-19/h2-10,29H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+InChIKey
AOIDKHMVHHPIGB-LSHDLFTRSA-NSynonyms
577767-32-92((E)((1(4azaniumyl125oxadiazol3yl)5(phenylsulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)6methoxyphenolate
2((E)(2((1(4ammonio125oxadiazol3yl)5((phenylsulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)6methoxyphenolate
577767329
COC1=CC=CC(=C1(O))C=NNC(=O)C2=C(N(N=N2)C3=NON=C3(NH3+))CSC4=CC=CC=C4
COc1cccc(c1(O))C=NNC(=O)c1nnn(c1CSc1ccccc1)c1nonc1(NH3+)
InChI=1SC20H18N8O4Sc1311595612(17(15)29)10222420(30)1614(1133137324813)28(272316)1918(21)25322619h21029H11H21H3(H22125)(H2430)b2210+
MFCD04019084
ZINC000001875434
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