Vitas-M small molecule compound
methyl 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
Catalog ID
STL347057
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSc1ccc(cc1)C)c1nonc1N
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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/c1-13-3-9-16(10-4-13)35-12-17-18(25-29-30(17)20-19(23)27-34-28-20)21(31)26-24-11-14-5-7-15(8-6-14)22(32)33-2/h3-11H,12H2,1-2H3,(H2,23,27)(H,26,31)/b24-11+InChIKey
JNNIJUXTFXFTGM-BHGWPJFGSA-NSynonyms
849009-40-1(E)methyl4((2(1(4amino125oxadiazol3yl)5((ptolylthio)methyl)1H123triazole4carbonyl)hydrazono)methyl)benzoate
849009401
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)c1nnn(c1CSc1ccc(cc1)C)c1nonc1N
InChI=1SC22H20N8O4Sc1133916(10413)35121718(252930(17)2019(23)27342820)21(31)262411145715(8614)22(32)332h311H12H212H3(H22327)(H2631)b2411+
methyl4((E)((1(4amino125oxadiazol3yl)5((4methylphenyl)sulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)benzoate
methyl4((E)(2((1(4amino125oxadiazol3yl)5(((4methylphenyl)sulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
MFCD05680493
ZINC000002451006
ZINC33372845
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