Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL159481
SMILES O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)N/N=C/c1c(F)cccc1Cl

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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 C16H13ClFN11O2S MW 477.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClFN11O2S/c1-28-7-21-24-16(28)32-6-11-12(22-27-29(11)14-13(19)25-31-26-14)15(30)23-20-5-8-9(17)3-2-4-10(8)18/h2-5,7H,6H2,1H3,(H2,19,25)(H,23,30)/b20-5+
InChIKey
CXSZJVVZVWUWBM-DENHBWNVSA-N
Synonyms
848990-83-0
(E)1(4amino125oxadiazol3yl)N(2chloro6fluorobenzylidene)5(((4methyl4H124triazol3yl)thio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2chloro6fluorophenyl)methylidene)5(((4methyl4H124triazol3yl)sulfanyl)methyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(2CHLORO6FLUOROPHENYL)METHYLIDENEAMINO)5((4METHYL124TRIAZOL3YL)SULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
848990830
CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CC=C4Cl)F
InChI=1SC16H13ClFN11O2Sc1287212416(28)3261112(222729(11)1413(19)25312614)15(30)2320589(17)32410(8)18h257H6H21H3(H21925)(H2330)b205+
MFCD05678988
O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)NN=Cc1c(F)cccc1Cl
ZINC000002446783
ZINC4506497

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Available files

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