Vitas-M small molecule compound

methyl (2Z)-3-(tert-butylsulfanyl)-3-[(4-ethylphenyl)amino]-2-(trifluoromethyl)prop-2-enoate

Catalog ID
STL311505
SMILES COC(=O)/C(=C(/SC(C)(C)C)\Nc1ccc(cc1)CC)/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 C17H22F3NO2S MW 361.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22F3NO2S/c1-6-11-7-9-12(10-8-11)21-14(24-16(2,3)4)13(15(22)23-5)17(18,19)20/h7-10,21H,6H2,1-5H3/b14-13-
InChIKey
AMORTQAJLDOVOW-YPKPFQOOSA-N
Synonyms
493030-25-4
(Z)methyl3(tertbutylthio)3((4ethylphenyl)amino)2(trifluoromethyl)acrylate
3TERTBUTYLSULFANYL3(4ETHYLPHENYLAMINO)2TRIFLUOROMETHYLACRYLICACIDMETHYLESTER
493030254
CCC1=CC=C(C=C1)NC(=C(C(=O)OC)C(F)(F)F)SC(C)(C)C
COC(=O)C(=C(SC(C)(C)C)Nc1ccc(cc1)CC)C(F)(F)F
InChI=1SC17H22F3NO2Sc16117912(10811)2114(2416(23)4)13(15(22)235)17(1819)20h71021H6H215H3b1413
methyl(2Z)3(tertbutylsulfanyl)3((4ethylphenyl)amino)2(trifluoromethyl)prop2enoate
METHYL(2Z)3(TERTBUTYLSULFANYL)3(4ETHYLANILINO)2(TRIFLUOROMETHYL)2PROPENOATE
METHYL(Z)3TERTBUTYLSULFANYL3(4ETHYLANILINO)2(TRIFLUOROMETHYL)PROP2ENOATE
MFCD03689877
ZINC000005066222
ZINC05066222
ZINC5066222

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.