Vitas-M small molecule compound

methyl 4-[({[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STL161769
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1ccc2n(n1)c(nn2)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 C16H12F3N5O3S MW 411.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12F3N5O3S/c1-27-14(26)9-2-4-10(5-3-9)20-12(25)8-28-13-7-6-11-21-22-15(16(17,18)19)24(11)23-13/h2-7H,8H2,1H3,(H,20,25)
InChIKey
NABKJKFIVOQOMD-UHFFFAOYSA-N
Synonyms
1282118-83-5
1282118835
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN3C(=NN=C3C(F)(F)F)C=C2
InChI=1SC16H12F3N5O3Sc12714(26)92410(539)2012(25)828137611212215(16(1718)19)24(11)2313h27H8H21H3(H2025)
methyl4((((3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)sulfanyl)acetyl)amino)benzoate
methyl4((2((3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)sulfanyl)acetyl)amino)benzoate
methyl4(2((3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)thio)acetamido)benzoate
MFCD18796635
ZINC000061717786
ZINC61717786

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Available files

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