Vitas-M small molecule compound
methyl 1-({[4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Catalog ID
STL393019
SMILES COC(=O)c1ccn(n1)CSc1nnc(n1/N=C/c1sccc1C)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 C15H13F3N6O2S2 MW 430.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13F3N6O2S2/c1-9-4-6-27-11(9)7-19-24-13(15(16,17)18)20-21-14(24)28-8-23-5-3-10(22-23)12(25)26-2/h3-7H,8H2,1-2H3/b19-7+InChIKey
FGIDJZDDRKPJHG-FBCYGCLPSA-NSynonyms
1005587-76-71005587767
CC1=C(SC=C1)C=NN2C(=NN=C2SCN3C=CC(=N3)C(=O)OC)C(F)(F)F
COC(=O)c1ccn(n1)CSc1nnc(n1N=Cc1sccc1C)C(F)(F)F
InChI=1SC15H13F3N6O2S2c19462711(9)7192413(15(1617)18)202114(24)288235310(2223)12(25)262h37H8H212H3b197+
METHYL1(((4(((E)(3METHYLTHIOPHEN2YL)METHYLIDENE)AMINO)5(TRIFLUOROMETHYL)4H124TRIAZOL3YL)SULFANYL)METHYL)1HPYRAZOLE3CARBOXYLATE
methyl1((4((E)(3methylthiophen2yl)methylideneamino)5(trifluoromethyl)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD05667502
ZINC000002733118
ZINC2733117
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