Vitas-M small molecule compound
{[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
Catalog ID
STL334187
SMILES N#Cc1c(SCC(=O)O)nc(cc1C(F)(F)F)C12CC3CC(C2)CC(C1)C3
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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 C19H19F3N2O2S MW 396.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N2O2S/c20-19(21,22)14-4-15(24-17(13(14)8-23)27-9-16(25)26)18-5-10-1-11(6-18)3-12(2-10)7-18/h4,10-12H,1-3,5-7,9H2,(H,25,26)InChIKey
MDNMKWVVKHRWFQ-UHFFFAOYSA-NSynonyms
488804-52-0((3cyano6(tricyclo(3311~37~)dec1yl)4(trifluoromethyl)pyridin2yl)sulfanyl)aceticacid
2((6((3r5r7r)adamantan1yl)3cyano4(trifluoromethyl)pyridin2yl)thio)aceticacid
2((6(1ADAMANTYL)3CYANO4(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)ACETICACID
2(6(1ADAMANTYL)3CYANO4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLACETICACID
488804520
C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C(=C4)C(F)(F)F)C#N)SCC(=O)O
InChI=1SC19H19F3N2O2Sc2019(2122)14415(2417(13(14)823)27916(25)26)18510111(618)312(210)718h41012H13579H2(H2526)
ZINC000004620342
ZINC4620342
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