Vitas-M small molecule compound

(2,6-dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione

Catalog ID
STK059226
SMILES CC1OC(C)CN(C1)C(=S)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 C13H16N2O3S MW 280.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O3S/c1-9-7-14(8-10(2)18-9)13(19)11-3-5-12(6-4-11)15(16)17/h3-6,9-10H,7-8H2,1-2H3
InChIKey
OTWDABUDFHHNRI-UHFFFAOYSA-N
Synonyms
58329-94-5
(26DIMETHYLMORPHOLIN4YL)(4NITROPHENYL)METHANETHIONE
58329945
CC1CN(CC(O1)C)C(=S)C2=CC=C(C=C2)(N+)(=O)(O)
CC1OC(C)CN(C1)C(=S)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H16N2O3Sc19714(810(2)189)13(19)113512(6411)15(16)17h36910H78H212H3
MFCD04213339
MORPHOLINE26DIMETHYL4((4NITROPHENYL)THIOXOMETHYL)TRANS
STK059226
ZINC000000616404
ZINC000013547396

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.