Vitas-M small molecule compound
(2E)-N-[2-(benzylsulfanyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
Catalog ID
STL136981
SMILES O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])NCCSCc1ccccc1
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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 C18H18N2O3S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3S/c21-18(11-8-15-6-9-17(10-7-15)20(22)23)19-12-13-24-14-16-4-2-1-3-5-16/h1-11H,12-14H2,(H,19,21)/b11-8+InChIKey
BRGVWAIOLXJTJM-DHZHZOJOSA-NSynonyms
(2E)N(2(benzylsulfanyl)ethyl)3(4nitrophenyl)prop2enamide
(E)N(2BENZYLSULFANYLETHYL)3(4NITROPHENYL)PROP2ENAMIDE
C1=CC=C(C=C1)CSCCNC(=O)C=CC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC18H18N2O3Sc2118(118156917(10715)20(22)23)1912132414164213516h111H1214H2(H1921)b118+
MFCD03704050
O=C(C=Cc1ccc(cc1)(N+)(=O)(O))NCCSCc1ccccc1
ZINC000002980874
ZINC02980874
ZINC2980874
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