Vitas-M small molecule compound
(2E)-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK012356
SMILES O=C(NC(=S)Nc1ccccc1N1CCOCC1)/C=C/c1cccc(c1)[N+](=O)[O-]
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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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c25-19(9-8-15-4-3-5-16(14-15)24(26)27)22-20(29)21-17-6-1-2-7-18(17)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,22,25,29)/b9-8+InChIKey
DUGGWIJWGQOJFS-CMDGGOBGSA-NSynonyms
(2E)N((2(MORPHOLIN4YL)PHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
(E)N((2MORPHOLIN4YLPHENYL)CARBAMOTHIOYL)3(3NITROPHENYL)PROP2ENAMIDE
C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H20N4O4Sc2519(981543516(1415)24(26)27)2220(29)2117612718(17)23101228131123h1914H1013H2(H221222529)b98+
MFCD03552646
O=C(NC(=S)Nc1ccccc1N1CCOCC1)C=Cc1cccc(c1)(N+)(=O)(O)
STK012356
ZINC000001116268
ZINC01116268
ZINC1116268
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