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}-2-methoxyphenolate
Catalog ID
STK568811
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CSc2ccccc2)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 C20H18N8O4S MW 466.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O4S/c1-31-16-9-12(7-8-15(16)29)10-22-24-20(30)17-14(11-33-13-5-3-2-4-6-13)28(27-23-17)19-18(21)25-32-26-19/h2-10,29H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+InChIKey
MSTFZUPAOVTDDG-LSHDLFTRSA-NSynonyms
578735-46-34((E)((1(4azaniumyl125oxadiazol3yl)5(phenylsulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)2methoxyphenolate
4((E)(2((1(4ammonio125oxadiazol3yl)5((phenylsulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenolate
578735463
COC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3(NH3+))CSC4=CC=CC=C4)(O)
COc1cc(C=NNC(=O)c2nnn(c2CSc2ccccc2)c2nonc2(NH3+))ccc1(O)
InChI=1SC20H18N8O4Sc13116912(7815(16)29)10222420(30)1714(1133135324613)28(272317)1918(21)25322619h21029H11H21H3(H22125)(H2430)b2210+
MFCD04031732
ZINC000001813228
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