Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL170676
SMILES Nc1nonc1n1nnc(c1CSc1nc2c(o1)cccc2)C(=O)N/N=C/c1ccccc1C(F)(F)F
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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 C21H14F3N9O3S MW 529.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F3N9O3S/c22-21(23,24)12-6-2-1-5-11(12)9-26-29-19(34)16-14(33(32-28-16)18-17(25)30-36-31-18)10-37-20-27-13-7-3-4-8-15(13)35-20/h1-9H,10H2,(H2,25,30)(H,29,34)/b26-9+InChIKey
SJRREYOHTWTHCQ-JQAMDZJQSA-NSynonyms
1(4amino125oxadiazol3yl)5((13benzoxazol2ylsulfanyl)methyl)N((E)(2(trifluoromethyl)phenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(13benzoxazol2ylsulfanylmethyl)N((E)(2(trifluoromethyl)phenyl)methylideneamino)triazole4carboxamide
C1=CC=C(C(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NC5=CC=CC=C5O4)C(F)(F)F
InChI=1SC21H14F3N9O3Sc2221(2324)12621511(12)9262919(34)1614(33(322816)1817(25)30363118)1037202713734815(13)3520h19H10H2(H22530)(H2934)b269+
MFCD01451786
Nc1nonc1n1nnc(c1CSc1nc2c(o1)cccc2)C(=O)NN=Cc1ccccc1C(F)(F)F
ZINC000002734259
ZINC4510604
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