Vitas-M small molecule compound
O-{4-[(3-nitrophenyl)carbamoyl]phenyl} 4-methylpiperidine-1-carbothioate
Catalog ID
STK751479
SMILES CC1CCN(CC1)C(=S)Oc1ccc(cc1)C(=O)Nc1cccc(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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-14-9-11-22(12-10-14)20(28)27-18-7-5-15(6-8-18)19(24)21-16-3-2-4-17(13-16)23(25)26/h2-8,13-14H,9-12H2,1H3,(H,21,24)InChIKey
UJQQUPDBKKKQAQ-UHFFFAOYSA-NSynonyms
CC1CCN(CC1)C(=S)Oc1ccc(cc1)C(=O)Nc1cccc(c1)(N+)(=O)(O)
CC1CCN(CC1)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H21N3O4Sc11491122(121014)20(28)27187515(6818)19(24)211632417(1316)23(25)26h281314H912H21H3(H2124)
MFCD00747114
O(4((3NITROPHENYL)CARBAMOYL)PHENYL)4METHYLPIPERIDINE1CARBOTHIOATE
ZINC000004413878
ZINC04413878
ZINC4413878
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