Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL003005
SMILES COc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N)OC
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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 C21H20N8O4S MW 480.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O4S/c1-31-14-8-9-17(32-2)13(10-14)11-23-25-21(30)18-16(12-34-15-6-4-3-5-7-15)29(28-24-18)20-19(22)26-33-27-20/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,30)/b23-11+InChIKey
BTXURTACWZCUFM-FOKLQQMPSA-NSynonyms
579440-88-3(E)1(4amino125oxadiazol3yl)N(25dimethoxybenzylidene)5((phenylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(25dimethoxyphenyl)methylidene)5((phenylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(25DIMETHOXYPHENYL)METHYLIDENEAMINO)5(PHENYLSULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
579440883
COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4
COc1ccc(c(c1)C=NNC(=O)c1nnn(c1CSc1ccccc1)c1nonc1N)OC
InChI=1SC21H20N8O4Sc131148917(322)13(1014)11232521(30)1816(1234156435715)29(282418)2019(22)26332720h311H12H212H3(H22226)(H2530)b2311+
MFCD04032551
ZINC000002395977
ZINC33365042
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