Vitas-M small molecule compound
(2E)-4-({4-[(heptafluoropropyl)sulfanyl]phenyl}amino)-4-oxobut-2-enoic acid
Catalog ID
STK738219
SMILES O=C(Nc1ccc(cc1)SC(C(C(F)(F)F)(F)F)(F)F)/C=C/C(=O)O
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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 C13H8F7NO3S MW 391.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8F7NO3S/c14-11(15,12(16,17)18)13(19,20)25-8-3-1-7(2-4-8)21-9(22)5-6-10(23)24/h1-6H,(H,21,22)(H,23,24)/b6-5+InChIKey
PJMJPLPCWSRRDH-AATRIKPKSA-NSynonyms
314279-18-0(2E)4((4((heptafluoropropyl)sulfanyl)phenyl)amino)4oxobut2enoicacid
(E)4(4(1122333heptafluoropropylsulfanyl)anilino)4oxobut2enoicacid
(E)4oxo4((4((perfluoropropyl)thio)phenyl)amino)but2enoicacid
314279180
C1=CC(=CC=C1NC(=O)C=CC(=O)O)SC(C(C(F)(F)F)(F)F)(F)F
InChI=1SC13H8F7NO3Sc1411(1512(1617)18)13(1920)258317(248)219(22)5610(23)24h16H(H2122)(H2324)b65+
MFCD02074210
O=C(Nc1ccc(cc1)SC(C(C(F)(F)F)(F)F)(F)F)C=CC(=O)O
ZINC000002597208
ZINC2597208
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