Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL003482
SMILES O=C(c1nnn(c1CSc1ccccc1)c1nonc1N)N/N=C(/c1ccc2c(c1)OCO2)\C
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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 C21H18N8O4S MW 478.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N8O4S/c1-12(13-7-8-16-17(9-13)32-11-31-16)23-25-21(30)18-15(10-34-14-5-3-2-4-6-14)29(28-24-18)20-19(22)26-33-27-20/h2-9H,10-11H2,1H3,(H2,22,26)(H,25,30)/b23-12+InChIKey
VCAIZMPGGGTSGW-FSJBWODESA-NSynonyms
843616-27-3(E)1(4amino125oxadiazol3yl)N(1(benzo(d)(13)dioxol5yl)ethylidene)5((phenylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((1E)1(13benzodioxol5yl)ethylidene)5((phenylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)1(13benzodioxol5yl)ethylideneamino)5(phenylsulfanylmethyl)triazole4carboxamide
843616273
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5
InChI=1SC21H18N8O4Sc112(13781617(913)32113116)232521(30)1815(1034145324614)29(282418)2019(22)26332720h29H1011H21H3(H22226)(H2530)b2312+
MFCD04013297
O=C(c1nnn(c1CSc1ccccc1)c1nonc1N)NN=C(c1ccc2c(c1)OCO2)C
ZINC000009456058
ZINC15894611
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