Vitas-M small molecule compound
4-[({N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidoyl}sulfanyl)methyl]benzoic acid
Catalog ID
STL333936
SMILES N#C/N=C(/Nc1cccc(c1)C(F)(F)F)\SCc1ccc(cc1)C(=O)O
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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 C17H12F3N3O2S MW 379.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F3N3O2S/c18-17(19,20)13-2-1-3-14(8-13)23-16(22-10-21)26-9-11-4-6-12(7-5-11)15(24)25/h1-8H,9H2,(H,22,23)(H,24,25)InChIKey
HBSZUZRGKDMYLS-UHFFFAOYSA-NSynonyms
445385-59-1(Z)4(((NcyanoN(3(trifluoromethyl)phenyl)carbamimidoyl)thio)methyl)benzoicacid
4((((CYANOIMINO)(3(TRIFLUOROMETHYL)ANILINO)METHYL)SULFANYL)METHYL)BENZOICACID
4(((CYANO(3(TRIFLUOROMETHYL)PHENYL)CARBAMIMIDOYL)SULFANYL)METHYL)BENZOICACID
4(((NcyanoN(3(trifluoromethyl)phenyl)carbamimidoyl)sulfanyl)methyl)benzoicacid
4((NCYANON(3(TRIFLUOROMETHYL)PHENYL)CARBAMIMIDOYL)SULFANYLMETHYL)BENZOICACID
445385591
C1=CC(=CC(=C1)N=C(NC#N)SCC2=CC=C(C=C2)C(=O)O)C(F)(F)F
InChI=1SC17H12F3N3O2Sc1817(1920)1321314(813)2316(221021)269114612(7511)15(24)25h18H9H2(H2223)(H2425)
MFCD03291685
N#CN=C(Nc1cccc(c1)C(F)(F)F)SCc1ccc(cc1)C(=O)O
ZINC000004620302
ZINC4620302
Check stock
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