Vitas-M small molecule compound
methyl (2E)-3-{[(Z)-cyano(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)prop-2-enoate
Catalog ID
STL317754
SMILES N#C/C(=C\1/NC(C)(C)Cc2c1cccc2)/S/C(=C(/C(F)(F)F)\C(=O)OC)/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 C18H16F4N2O2S MW 400.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F4N2O2S/c1-17(2)8-10-6-4-5-7-11(10)14(24-17)12(9-23)27-15(19)13(16(25)26-3)18(20,21)22/h4-7,24H,8H2,1-3H3/b14-12-,15-13+InChIKey
PDILYINKKLBNLN-PMJBJKLVSA-NSynonyms
836629-82-4(E)methyl3(((Z)cyano(33dimethyl34dihydroisoquinolin1(2H)ylidene)methyl)thio)3fluoro2(trifluoromethyl)acrylate
836629824
CC1(CC2=CC=CC=C2C(=C(C#N)SC(=C(C(=O)OC)C(F)(F)F)F)N1)C
InChI=1SC18H16F4N2O2Sc117(2)810645711(10)14(2417)12(923)2715(19)13(16(25)263)18(2021)22h4724H8H213H3b14121513+
methyl(2E)3(((Z)cyano(33dimethyl34dihydroisoquinolin1(2H)ylidene)methyl)sulfanyl)3fluoro2(trifluoromethyl)prop2enoate
METHYL(E)3((Z)CYANO(33DIMETHYL24DIHYDROISOQUINOLIN1YLIDENE)METHYL)SULFANYL3FLUORO2(TRIFLUOROMETHYL)PROP2ENOATE
MFCD03688552
N#CC(=C1NC(C)(C)Cc2c1cccc2)SC(=C(C(F)(F)F)C(=O)OC)F
ZINC000031919519
ZINC31919519
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