Vitas-M small molecule compound

N-[2-(tert-butylsulfanyl)ethyl]-2-methyl-3-nitrobenzamide

Catalog ID
STK074658
SMILES O=C(c1cccc(c1C)[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 C14H20N2O3S MW 296.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N2O3S/c1-10-11(6-5-7-12(10)16(18)19)13(17)15-8-9-20-14(2,3)4/h5-7H,8-9H2,1-4H3,(H,15,17)
InChIKey
MQKIHPRWAQHPCP-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NCCSC(C)(C)C
InChI=1SC14H20N2O3Sc11011(65712(10)16(18)19)13(17)15892014(23)4h57H89H214H3(H1517)
MFCD03705904
N(2(TERTBUTYLSULFANYL)ETHYL)2METHYL3NITROBENZAMIDE
N(2TERTBUTYLSULFANYLETHYL)2METHYL3NITROBENZAMIDE
O=C(c1cccc(c1C)(N+)(=O)(O))NCCSC(C)(C)C
STK074658
ZINC000002988160
ZINC02988160
ZINC2988160

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Available files

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