Vitas-M small molecule compound
phenyl[({[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetyl)amino]acetic acid
Catalog ID
STL476684
SMILES O=C(NC(c1ccccc1)C(=O)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/c17-16(18,19)15-22-21-10-6-7-12(23-24(10)15)28-8-11(25)20-13(14(26)27)9-4-2-1-3-5-9/h1-7,13H,8H2,(H,20,25)(H,26,27)InChIKey
ZCLBBSJGTCGKOV-UHFFFAOYSA-NSynonyms
(S)2phenyl2(2((3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)thio)acetamido)aceticacid
2phenyl2((2((3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)sulfanyl)acetyl)amino)aceticacid
C1=CC=C(C=C1)C(C(=O)O)NC(=O)CSC2=NN3C(=NN=C3C(F)(F)F)C=C2
InChI=1SC16H12F3N5O3Sc1716(1819)152221106712(2324(10)15)28811(25)2013(14(26)27)9421359h1713H8H2(H2025)(H2627)
MFCD31939659
O=C(N(C@@H)(c1ccccc1)C(=O)O)CSc1ccc2n(n1)c(nn2)C(F)(F)F
phenyl((((3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)sulfanyl)acetyl)amino)aceticacid
ZINC000218489777
ZINC000334161346
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