Vitas-M small molecule compound

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

Catalog ID
STK955908
SMILES CCOC(=O)c1sc2c(c1N)c(SCc1ccc(cc1)Cl)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 C18H15ClN2O4S2 MW 422.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN2O4S2/c1-2-25-18(22)17-16(20)15-13(7-12(21(23)24)8-14(15)27-17)26-9-10-3-5-11(19)6-4-10/h3-8H,2,9,20H2,1H3
InChIKey
PFJAJVYQBQGHTG-UHFFFAOYSA-N
Synonyms
438212-43-2
438212432
CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=C(C=C3)Cl)(N+)(=O)(O))N
CCOC(=O)c1sc2c(c1N)c(SCc1ccc(cc1)Cl)cc(c2)(N+)(=O)(O)
ethyl3amino4((4chlorobenzyl)sulfanyl)6nitro1benzothiophene2carboxylate
ETHYL3AMINO4((4CHLOROPHENYL)METHYLSULFANYL)6NITRO1BENZOTHIOPHENE2CARBOXYLATE
InChI=1SC18H15ClN2O4S2c122518(22)1716(20)1513(712(21(23)24)814(15)2717)269103511(19)6410h38H2920H21H3
MFCD03465297
ZINC000000652394
ZINC00652394
ZINC652394

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Available files

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