Vitas-M small molecule compound
(2E)-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STL121021
SMILES O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NCCSCc1ccc(c(c1)Cl)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 C18H16Cl2N2O3S MW 411.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl2N2O3S/c19-16-6-4-14(11-17(16)20)12-26-9-8-21-18(23)7-5-13-2-1-3-15(10-13)22(24)25/h1-7,10-11H,8-9,12H2,(H,21,23)/b7-5+InChIKey
OHLAEPFBYGJGDR-FNORWQNLSA-NSynonyms
(2E)N(2((34dichlorobenzyl)sulfanyl)ethyl)3(3nitrophenyl)prop2enamide
(E)N(2((34DICHLOROPHENYL)METHYLSULFANYL)ETHYL)3(3NITROPHENYL)PROP2ENAMIDE
C1=CC(=CC(=C1)(N+)(=O)(O))C=CC(=O)NCCSCC2=CC(=C(C=C2)Cl)Cl
InChI=1SC18H16Cl2N2O3Sc19166414(1117(16)20)1226982118(23)751321315(1013)22(24)25h171011H8912H2(H2123)b75+
MFCD03142891
O=C(C=Cc1cccc(c1)(N+)(=O)(O))NCCSCc1ccc(c(c1)Cl)Cl
ZINC000002986642
ZINC02986642
ZINC2986642
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