Vitas-M small molecule compound

methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate

Catalog ID
STK262282
SMILES COC(=O)c1sc2c(c1N)cc(cc2)[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 C10H8N2O4S MW 252.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8N2O4S/c1-16-10(13)9-8(11)6-4-5(12(14)15)2-3-7(6)17-9/h2-4H,11H2,1H3
InChIKey
WMZGLTDTPSMOMC-UHFFFAOYSA-N
Synonyms
34674-75-4
34674754
3AMINO2CARBOMETHOXY5NITROBENZTHIOPHENE
3AMINO5NITRO1BENZOTHIOPHENE2CARBOXYLICACIDMETHYLESTER
BENZO(B)THIOPHENE2CARBOXYLICACID3AMINO5NITROMETHYLESTER
COC(=O)C1=C(C2=C(S1)C=CC(=C2)(N+)(=O)(O))N
COC(=O)c1sc2c(c1N)cc(cc2)(N+)(=O)(O)
InChI=1SC10H8N2O4Sc11610(13)98(11)645(12(14)15)237(6)179h24H11H21H3
methyl3amino5nitro1benzothiophene2carboxylate
METHYL3AMINO5NITROBENZO(B)THIOPHENE2
METHYL3AMINO5NITROBENZO(B)THIOPHENE2CARBOXYLATE
MFCD00245562
ZINC000004268583
ZINC04268583
ZINC4268583

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Available files

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