Vitas-M small molecule compound
(2E)-N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK063147
SMILES O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NCCSCc1c(F)cccc1Cl
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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 C18H16ClFN2O3S MW 394.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClFN2O3S/c19-16-5-2-6-17(20)15(16)12-26-10-9-21-18(23)8-7-13-3-1-4-14(11-13)22(24)25/h1-8,11H,9-10,12H2,(H,21,23)/b8-7+InChIKey
IPROIRBCLBIEBH-BQYQJAHWSA-NSynonyms
(2E)N(2((2CHLORO6FLUOROBENZYL)SULFANYL)ETHYL)3(3NITROPHENYL)PROP2ENAMIDE
(2E)N(2((2CHLORO6FLUOROPHENYL)METHYLTHIO)ETHYL)3(3NITROPHENYL)PROP2ENAMIDE
(E)N(2((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)ETHYL)3(3NITROPHENYL)PROP2ENAMIDE
C1=CC(=CC(=C1)(N+)(=O)(O))C=CC(=O)NCCSCC2=C(C=CC=C2Cl)F
InChI=1SC18H16ClFN2O3Sc191652617(20)15(16)12261092118(23)871331414(1113)22(24)25h1811H91012H2(H2123)b87+
MFCD03251977
O=C(C=Cc1cccc(c1)(N+)(=O)(O))NCCSCc1c(F)cccc1Cl
STK063147
ZINC000002813443
ZINC02813443
ZINC2813443
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