Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-{(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL151097
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1OCc1cccc2c1cccc2
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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 C28H25N9O4S2 MW 615.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N9O4S2/c1-39-23-13-17(9-10-22(23)40-15-19-7-4-6-18-5-2-3-8-20(18)19)14-31-33-27(38)24-21(16-43-28-30-11-12-42-28)37(36-32-24)26-25(29)34-41-35-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,34)(H,33,38)/b31-14+InChIKey
VOIUSPNQQVJBOJ-XAZZYMPDSA-NSynonyms
(E)1(4amino125oxadiazol3yl)5(((45dihydrothiazol2yl)thio)methyl)N(3methoxy4(naphthalen1ylmethoxy)benzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((45dihydro13thiazol2ylsulfanyl)methyl)N((E)(3methoxy4(naphthalen1ylmethoxy)phenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(45dihydro13thiazol2ylsulfanylmethyl)N((E)(3methoxy4(naphthalen1ylmethoxy)phenyl)methylideneamino)triazole4carboxamide
COC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NCCS4)OCC5=CC=CC6=CC=CC=C65
COc1cc(C=NNC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1OCc1cccc2c1cccc2
InChI=1SC28H25N9O4S2c139231317(91022(23)40151974618523820(18)19)14313327(38)2421(1643283011124228)37(363224)2625(29)34413526h2101314H11121516H21H3(H22934)(H3338)b3114+
MFCD03340105
ZINC000097971033
ZINC103229633
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