Vitas-M small molecule compound
4-{(E)-[2-({1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-3-hydroxyphenolate
Catalog ID
STL050388
SMILES [O-]c1ccc(c(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 C19H16N8O4S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N8O4S/c20-17-18(25-31-24-17)27-14(10-32-13-4-2-1-3-5-13)16(22-26-27)19(30)23-21-9-11-6-7-12(28)8-15(11)29/h1-9,28-29H,10H2,(H2,20,24)(H,23,30)/b21-9+InChIKey
SKPPZILRQXXGLL-ZVBGSRNCSA-NSynonyms
587008-60-4(O)c1ccc(c(c1)O)C=NNC(=O)c1nnn(c1CSc1ccccc1)c1nonc1(NH3+)
4((E)(2((1(4ammonio125oxadiazol3yl)5((phenylsulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)3hydroxyphenolate
587008604
MFCD04033289
ZINC000002396797
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