Vitas-M small molecule compound
(2E)-N-{2-[(3-chlorobenzyl)sulfanyl]ethyl}-3-(4-fluorophenyl)prop-2-enamide
Catalog ID
STL113327
SMILES O=C(/C=C/c1ccc(cc1)F)NCCSCc1cccc(c1)Cl
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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 C18H17ClFNOS MW 349.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFNOS/c19-16-3-1-2-15(12-16)13-23-11-10-21-18(22)9-6-14-4-7-17(20)8-5-14/h1-9,12H,10-11,13H2,(H,21,22)/b9-6+InChIKey
OHXUZEDMEHVAQU-RMKNXTFCSA-NSynonyms
(2E)N(2((3chlorobenzyl)sulfanyl)ethyl)3(4fluorophenyl)prop2enamide
(2E)N(2((3CHLOROPHENYL)METHYLTHIO)ETHYL)3(4FLUOROPHENYL)PROP2ENAMIDE
(E)N(2((3CHLOROPHENYL)METHYLSULFANYL)ETHYL)3(4FLUOROPHENYL)PROP2ENAMIDE
C1=CC(=CC(=C1)Cl)CSCCNC(=O)C=CC2=CC=C(C=C2)F
InChI=1SC18H17ClFNOSc191631215(1216)132311102118(22)96144717(20)8514h1912H101113H2(H2122)b96+
MFCD03135046
O=C(C=Cc1ccc(cc1)F)NCCSCc1cccc(c1)Cl
ZINC000002979464
ZINC02979464
ZINC2979464
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