Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL006579
SMILES Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc2c(c1)OCO2
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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/c1-12-2-5-14(6-3-12)34-10-15-18(24-28-29(15)20-19(22)26-33-27-20)21(30)25-23-9-13-4-7-16-17(8-13)32-11-31-16/h2-9H,10-11H2,1H3,(H2,22,26)(H,25,30)/b23-9+InChIKey
LISDDJKJSXQBRP-NUGSKGIGSA-NSynonyms
861116-22-5(E)1(4amino125oxadiazol3yl)N(benzo(d)(13)dioxol5ylmethylene)5((ptolylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)13benzodioxol5ylmethylidene)5(((4methylphenyl)sulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)13benzodioxol5ylmethylideneamino)5((4methylphenyl)sulfanylmethyl)triazole4carboxamide
861116225
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC5=C(C=C4)OCO5
Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)NN=Cc1ccc2c(c1)OCO2
InChI=1SC21H18N8O4Sc1122514(6312)34101518(242829(15)2019(22)26332720)21(30)2523913471617(813)32113116h29H1011H21H3(H22226)(H2530)b239+
MFCD05682878
ZINC000009307491
ZINC34864344
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