Vitas-M small molecule compound
2-{[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Catalog ID
STL163310
SMILES COc1cc(NC(=O)CSc2ccc3n(n2)c(nn3)C(F)(F)F)cc(c1OC)OC
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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 C17H16F3N5O4S MW 443.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F3N5O4S/c1-27-10-6-9(7-11(28-2)15(10)29-3)21-13(26)8-30-14-5-4-12-22-23-16(17(18,19)20)25(12)24-14/h4-7H,8H2,1-3H3,(H,21,26)InChIKey
PDHLPBTZSUJSHF-UHFFFAOYSA-NSynonyms
1282121-91-81282121918
2((3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)sulfanyl)N(345trimethoxyphenyl)acetamide
2((3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)thio)N(345trimethoxyphenyl)acetamide
COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN3C(=NN=C3C(F)(F)F)C=C2
InChI=1SC17H16F3N5O4Sc1271069(711(282)15(10)293)2113(26)830145412222316(17(1819)20)25(12)2414h47H8H213H3(H2126)
MFCD18797108
ZINC000061718330
ZINC61718330
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