Vitas-M small molecule compound

N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-(2-methoxy-5-nitrophenyl)-N~2~-(methylsulfonyl)glycinamide

Catalog ID
STK357610
SMILES COc1ccc(cc1N(S(=O)(=O)C)CC(=O)NCCC1=CCCCC1)[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 C18H25N3O6S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O6S/c1-27-17-9-8-15(21(23)24)12-16(17)20(28(2,25)26)13-18(22)19-11-10-14-6-4-3-5-7-14/h6,8-9,12H,3-5,7,10-11,13H2,1-2H3,(H,19,22)
InChIKey
WOSKGQULRMJSLG-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)(N+)(=O)(O))N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)C
COc1ccc(cc1N(S(=O)(=O)C)CC(=O)NCCC1=CCCCC1)(N+)(=O)(O)
InChI=1SC18H25N3O6Sc127179815(21(23)24)1216(17)20(28(225)26)1318(22)191110146435714h68912H357101113H212H3(H1922)
MFCD06623707
N(2(cyclohex1en1yl)ethyl)N~2~(2methoxy5nitrophenyl)N~2~(methylsulfonyl)glycinamide
N(2(CYCLOHEX1EN1YL)ETHYL)N2(2METHOXY5NITROPHENYL)N2(METHYLSULFONYL)GLYCINAMIDE
N(2(CYCLOHEXEN1YL)ETHYL)2(2METHOXYNMETHYLSULFONYL5NITROANILINO)ACETAMIDE
N1(2(1CYCLOHEXEN1YL)ETHYL)N2(2METHOXY5NITROPHENYL)N2(METHYLSULFONYL)GLYCINAMIDE
ZINC000005051112
ZINC05051112
ZINC5051112

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Available files

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