Vitas-M small molecule compound
3-thioxo-1-[3-(trifluoromethyl)phenyl]-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Catalog ID
STK018059
SMILES N#Cc1c(=S)[nH]c(c2c1CCCC2)c1cccc(c1)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 C17H13F3N2S MW 334.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F3N2S/c18-17(19,20)11-5-3-4-10(8-11)15-13-7-2-1-6-12(13)14(9-21)16(23)22-15/h3-5,8H,1-2,6-7H2,(H,22,23)InChIKey
BECPHXGNOIBFML-UHFFFAOYSA-NSynonyms
3sulfanylidene1(3(trifluoromethyl)phenyl)5678tetrahydro2Hisoquinoline4carbonitrile
3thioxo1(3(trifluoromethyl)phenyl)235678hexahydroisoquinoline4carbonitrile
C1CCC2=C(NC(=S)C(=C2C1)C#N)C3=CC(=CC=C3)C(F)(F)F
InChI=1SC17H13F3N2Sc1817(1920)1153410(811)1513721612(13)14(921)16(23)2215h358H1267H2(H2223)
MFCD03033979
N#Cc1c(=S)(nH)c(c2c1CCCC2)c1cccc(c1)C(F)(F)F
STK018059
ZINC04576271
ZINC4576271
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