Vitas-M small molecule compound

methyl 2-[(2,4-dinitrophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK044706
SMILES COC(=O)c1c(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])sc2c1CCCC2

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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 C16H15N3O6S MW 377.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O6S/c1-25-16(20)14-10-4-2-3-5-13(10)26-15(14)17-11-7-6-9(18(21)22)8-12(11)19(23)24/h6-8,17H,2-5H2,1H3
InChIKey
QSRAYAPSWKVQLO-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCC2)NC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1c(Nc2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))sc2c1CCCC2
InChI=1SC16H15N3O6Sc12516(20)1410423513(10)2615(14)1711769(18(21)22)812(11)19(23)24h6817H25H21H3
methyl2((24dinitrophenyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(24dinitroanilino)4567tetrahydro1benzothiophene3carboxylate
MFCD01120053
STK044706
ZINC000004797801
ZINC04797801
ZINC4797801

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Available files

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