Vitas-M small molecule compound
(2E)-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STL136983
SMILES O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NCCSc1ccc(cc1)C
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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/c1-14-5-8-17(9-6-14)24-12-11-19-18(21)10-7-15-3-2-4-16(13-15)20(22)23/h2-10,13H,11-12H2,1H3,(H,19,21)/b10-7+InChIKey
TWHPASCGMOSXSJ-JXMROGBWSA-NSynonyms
(2E)N(2((4methylphenyl)sulfanyl)ethyl)3(3nitrophenyl)prop2enamide
(E)N(2(4METHYLPHENYL)SULFANYLETHYL)3(3NITROPHENYL)PROP2ENAMIDE
CC1=CC=C(C=C1)SCCNC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC18H18N2O3Sc1145817(9614)2412111918(21)1071532416(1315)20(22)23h21013H1112H21H3(H1921)b107+
MFCD03704114
N(2((4METHYLPHENYL)THIO)ETHYL)3(3NITROPHENYL)ACRYLAMIDE
O=C(C=Cc1cccc(c1)(N+)(=O)(O))NCCSc1ccc(cc1)C
ZINC000002985040
ZINC02985040
ZINC2985040
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