Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N'-{(E)-[3-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL002193
SMILES O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)N/N=C/c1cccc(c1)C(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 C17H14F3N11O2S MW 493.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F3N11O2S/c1-30-8-23-26-16(30)34-7-11-12(24-29-31(11)14-13(21)27-33-28-14)15(32)25-22-6-9-3-2-4-10(5-9)17(18,19)20/h2-6,8H,7H2,1H3,(H2,21,27)(H,25,32)/b22-6+
InChIKey
SSBNHRVYZSFPOX-GEVRCRHISA-N
Synonyms
861628-43-5
(E)1(4amino125oxadiazol3yl)5(((4methyl4H124triazol3yl)thio)methyl)N(3(trifluoromethyl)benzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(((4methyl4H124triazol3yl)sulfanyl)methyl)N((E)(3(trifluoromethyl)phenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((4methyl124triazol3yl)sulfanylmethyl)N((E)(3(trifluoromethyl)phenyl)methylideneamino)triazole4carboxamide
861628435
CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC17H14F3N11O2Sc1308232616(30)3471112(242931(11)1413(21)27332814)15(32)25226932410(59)17(1819)20h268H7H21H3(H22127)(H2532)b226+
MFCD05684670
O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)NN=Cc1cccc(c1)C(F)(F)F
ZINC000009308395
ZINC97494855

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Available files

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