Vitas-M small molecule compound
3-methoxy-N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide
Catalog ID
STK082171
SMILES COc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1)[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 C19H20N4O4S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O4S/c1-27-17-4-2-3-14(13-17)18(24)20-19(28)22-11-9-21(10-12-22)15-5-7-16(8-6-15)23(25)26/h2-8,13H,9-12H2,1H3,(H,20,24,28)InChIKey
SKXSFSXFYGDBQH-UHFFFAOYSA-NSynonyms
3METHOXYN((4(4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
3METHOXYN(4(4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
COC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O)
COc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H20N4O4Sc1271742314(1317)18(24)2019(28)2211921(101222)155716(8615)23(25)26h2813H912H21H3(H202428)
MFCD02630979
STK082171
ZINC000004663132
ZINC04663132
ZINC4663132
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