Vitas-M small molecule compound

N-[2-(tert-butylsulfanyl)ethyl]-4-nitrobenzamide

Catalog ID
STL101997
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])NCCSC(C)(C)C

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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 C13H18N2O3S MW 282.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N2O3S/c1-13(2,3)19-9-8-14-12(16)10-4-6-11(7-5-10)15(17)18/h4-7H,8-9H2,1-3H3,(H,14,16)
InChIKey
MDDHJMXRCSMZDA-UHFFFAOYSA-N
Synonyms

CC(C)(C)SCCNC(=O)C1=CC=C(C=C1)(N+)(=O)(O)
InChI=1SC13H18N2O3Sc113(23)19981412(16)104611(7510)15(17)18h47H89H213H3(H1416)
MFCD03706231
N(2(tertbutylsulfanyl)ethyl)4nitrobenzamide
N(2TERTBUTYLSULFANYLETHYL)4NITROBENZAMIDE
O=C(c1ccc(cc1)(N+)(=O)(O))NCCSC(C)(C)C
ZINC000002989340
ZINC02989340
ZINC2989340

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Available files

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