Vitas-M small molecule compound

ethyl 3-amino-4-[(furan-2-ylmethyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate

Catalog ID
STK956422
SMILES CCOC(=O)c1sc2c(c1N)c(SCc1ccco1)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 C16H14N2O5S2 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5S2/c1-2-22-16(19)15-14(17)13-11(24-8-10-4-3-5-23-10)6-9(18(20)21)7-12(13)25-15/h3-7H,2,8,17H2,1H3
InChIKey
BQORHSPVVUVTQU-UHFFFAOYSA-N
Synonyms
438229-88-0
438229880
CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=CO3)(N+)(=O)(O))N
CCOC(=O)c1sc2c(c1N)c(SCc1ccco1)cc(c2)(N+)(=O)(O)
ETHYL3AMINO4((2FURYLMETHYL)SULFANYL)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
ethyl3amino4((furan2ylmethyl)sulfanyl)6nitro1benzothiophene2carboxylate
ETHYL3AMINO4(FURAN2YLMETHYLSULFANYL)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
InChI=1SC16H14N2O5S2c122216(19)1514(17)1311(248104352310)69(18(20)21)712(13)2515h37H2817H21H3
MFCD03466930
ZINC000002113291
ZINC02113291
ZINC2113291

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Available files

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