Vitas-M small molecule compound

N-(3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

Catalog ID
STK232135
SMILES O=C(CC1SCCNC1=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 C12H13N3O4S MW 295.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O4S/c16-11(7-10-12(17)13-4-5-20-10)14-8-2-1-3-9(6-8)15(18)19/h1-3,6,10H,4-5,7H2,(H,13,17)(H,14,16)
InChIKey
SIIKZFCZCDHLJG-UHFFFAOYSA-N
Synonyms
777869-15-5
777869155
C1CSC(C(=O)N1)CC(=O)NC2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC12H13N3O4Sc1611(71012(17)13452010)1482139(68)15(18)19h13610H457H2(H1317)(H1416)
MFCD06594976
N(3NITROPHENYL)2((2S)3OXOTHIOMORPHOLIN2YL)ACETAMIDE
N(3nitrophenyl)2(3oxothiomorpholin2yl)acetamide
O=C(CC1SCCNC1=O)Nc1cccc(c1)(N+)(=O)(O)
ZINC000002197499
ZINC000002197501

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Available files

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