Vitas-M small molecule compound

2-{4-[(E)-{[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}acetamide

Catalog ID
STL178184
SMILES NC(=O)COc1ccc(cc1)/C=N/n1c(S)nnc1C(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 C12H10F3N5O2S MW 345.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10F3N5O2S/c13-12(14,15)10-18-19-11(23)20(10)17-5-7-1-3-8(4-2-7)22-6-9(16)21/h1-5H,6H2,(H2,16,21)(H,19,23)/b17-5+
InChIKey
PEDWUKYTYMSDJV-YAXRCOADSA-N
Synonyms
832143-17-6
2(4((E)((3sulfanyl5(trifluoromethyl)4H124triazol4yl)imino)methyl)phenoxy)acetamide
2(4((E)(5sulfanylidene3(trifluoromethyl)1H124triazol4yl)iminomethyl)phenoxy)acetamide
832143176
C1=CC(=CC=C1C=NN2C(=NNC2=S)C(F)(F)F)OCC(=O)N
InChI=1SC12H10F3N5O2Sc1312(1415)10181911(23)20(10)1757138(427)2269(16)21h15H6H2(H21621)(H1923)b175+
MFCD04059053
NC(=O)COc1ccc(cc1)C=Nn1c(S)nnc1C(F)(F)F
ZINC000002808410
ZINC2808409

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Available files

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