Vitas-M small molecule compound
(2E)-3-(3-nitrophenyl)-N-{[2-(piperidin-1-yl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STK248206
SMILES O=C(NC(=S)Nc1ccccc1N1CCCCC1)/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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c26-20(12-11-16-7-6-8-17(15-16)25(27)28)23-21(29)22-18-9-2-3-10-19(18)24-13-4-1-5-14-24/h2-3,6-12,15H,1,4-5,13-14H2,(H2,22,23,26,29)/b12-11+InChIKey
KUDWVJLPHAOWNZ-VAWYXSNFSA-NSynonyms
(2E)3(3nitrophenyl)N((2(piperidin1yl)phenyl)carbamothioyl)prop2enamide
(E)3(3NITROPHENYL)N((2PIPERIDIN1YLPHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H22N4O3Sc2620(12111676817(1516)25(27)28)2321(29)22189231019(18)24134151424h2361215H1451314H2(H222232629)b1211+
MFCD03569345
O=C(NC(=S)Nc1ccccc1N1CCCCC1)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000001127418
ZINC01127418
ZINC1127418
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