Vitas-M small molecule compound

methyl 3-amino-4-(cyclohexylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate

Catalog ID
STK956473
SMILES COC(=O)c1sc2c(c1N)c(SC1CCCCC1)cc(c2)[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 C16H18N2O4S2 MW 366.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4S2/c1-22-16(19)15-14(17)13-11(23-10-5-3-2-4-6-10)7-9(18(20)21)8-12(13)24-15/h7-8,10H,2-6,17H2,1H3
InChIKey
NNEOQQDSDQACFW-UHFFFAOYSA-N
Synonyms
438230-79-6
438230796
COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3CCCCC3)(N+)(=O)(O))N
InChI=1SC16H18N2O4S2c12216(19)1514(17)1311(23105324610)79(18(20)21)812(13)2415h7810H2617H21H3
methyl3amino4(cyclohexylsulfanyl)6nitro1benzothiophene2carboxylate
METHYL3AMINO4CYCLOHEXYLSULFANYL6NITRO1BENZOTHIOPHENE2CARBOXYLATE
MFCD03467074
ZINC000000655602
ZINC00655602
ZINC655602

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Available files

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