Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL006961
SMILES Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)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 C22H20N8O4S MW 492.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N8O4S/c1-12-3-6-15(7-4-12)35-10-16-19(25-29-30(16)21-20(23)27-34-28-21)22(31)26-24-13(2)14-5-8-17-18(9-14)33-11-32-17/h3-9H,10-11H2,1-2H3,(H2,23,27)(H,26,31)/b24-13+InChIKey
KXOXWRWBJPTEIK-ZMOGYAJESA-NSynonyms
862106-23-8(E)1(4amino125oxadiazol3yl)N(1(benzo(d)(13)dioxol5yl)ethylidene)5((ptolylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((1E)1(13benzodioxol5yl)ethylidene)5(((4methylphenyl)sulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)1(13benzodioxol5yl)ethylideneamino)5((4methylphenyl)sulfanylmethyl)triazole4carboxamide
862106238
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC5=C(C=C4)OCO5
Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)NN=C(c1ccc2c(c1)OCO2)C
InChI=1SC22H20N8O4Sc1123615(7412)35101619(252930(16)2120(23)27342821)22(31)262413(2)14581718(914)33113217h39H1011H212H3(H22327)(H2631)b2413+
MFCD05686855
ZINC000009498023
ZINC33774546
Check stock
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Check stock on Vitas-MAvailable files
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