Vitas-M small molecule compound

2-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Catalog ID
STK012592
SMILES N#Cc1c(SCC(=O)C23CC4CC(C3)CC(C2)C4)nc(cc1C(F)(F)F)c1ccccc1

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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 C25H23F3N2OS MW 456.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23F3N2OS/c26-25(27,28)20-9-21(18-4-2-1-3-5-18)30-23(19(20)13-29)32-14-22(31)24-10-15-6-16(11-24)8-17(7-15)12-24/h1-5,9,15-17H,6-8,10-12,14H2
InChIKey
RJVOUXURLCUQAM-UHFFFAOYSA-N
Synonyms
316360-11-9
2((2((3r5r7r)adamantan1yl)2oxoethyl)thio)6phenyl4(trifluoromethyl)nicotinonitrile
2((2(1ADAMANTYL)2OXOETHYL)SULFANYL)6PHENYL4(TRIFLUOROMETHYL)NICOTINONITRILE
2((2oxo2(tricyclo(3311~37~)dec1yl)ethyl)sulfanyl)6phenyl4(trifluoromethyl)pyridine3carbonitrile
2(2(1ADAMANTYL)2OXOETHYL)SULFANYL6PHENYL4(TRIFLUOROMETHYL)PYRIDINE3CARBONITRILE
316360119
C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=CC(=N4)C5=CC=CC=C5)C(F)(F)F)C#N
InChI=1SC25H23F3N2OSc2625(2728)20921(184213518)3023(19(20)1329)321422(31)241015616(1124)817(715)1224h1591517H68101214H2
MFCD01789140
N#Cc1c(SCC(=O)C23CC4CC(C3)CC(C2)C4)nc(cc1C(F)(F)F)c1ccccc1
STK012592
ZINC000008399085
ZINC08399085
ZINC8399085

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Available files

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