Vitas-M small molecule compound

4-methoxy-3-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide

Catalog ID
STK020028
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC1CCSC1=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 C12H12N2O5S MW 296.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O5S/c1-19-10-3-2-7(6-9(10)14(17)18)11(15)13-8-4-5-20-12(8)16/h2-3,6,8H,4-5H2,1H3,(H,13,15)
InChIKey
DHEXWFBYRTVCPT-UHFFFAOYSA-N
Synonyms
472984-62-6
3NITRO4METHOXYN(2OXOTETRAHYDRO3THIENYL)BENZAMIDE
472984626
4METHOXY3NITRON(2OXOTETRAHYDROTHIOPHEN3YL)BENZAMIDE
4METHOXY3NITRON(2OXOTHIOLAN3YL)BENZAMIDE
COC1=C(C=C(C=C1)C(=O)NC2CCSC2=O)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC1CCSC1=O
InChI=1SC12H12N2O5Sc11910327(69(10)14(17)18)11(15)138452012(8)16h2368H45H21H3(H1315)
MFCD02213703
STK020028
ZINC000000183874
ZINC000000183875

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Available files

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