Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL153913
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CSc2ccc(cc2)C)c2nonc2N)ccc1OC
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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 C22H22N8O4S MW 494.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N8O4S/c1-13-4-7-15(8-5-13)35-12-16-19(25-29-30(16)21-20(23)27-34-28-21)22(31)26-24-11-14-6-9-17(32-2)18(10-14)33-3/h4-11H,12H2,1-3H3,(H2,23,27)(H,26,31)/b24-11+InChIKey
BHOKSDNHHKDMQH-BHGWPJFGSA-NSynonyms
848931-74-8(E)1(4amino125oxadiazol3yl)N(34dimethoxybenzylidene)5((ptolylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(34dimethoxyphenyl)methylidene)5(((4methylphenyl)sulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(34dimethoxyphenyl)methylideneamino)5((4methylphenyl)sulfanylmethyl)triazole4carboxamide
848931748
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=C(C=C4)OC)OC
COc1cc(C=NNC(=O)c2nnn(c2CSc2ccc(cc2)C)c2nonc2N)ccc1OC
InChI=1SC22H22N8O4Sc1134715(8513)35121619(252930(16)2120(23)27342821)22(31)262411146917(322)18(1014)333h411H12H213H3(H22327)(H2631)b2411+
MFCD05678315
ZINC000013787495
ZINC103233610
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