Vitas-M small molecule compound
methyl [(3-chloro-6-nitro-2-phenyl-1-benzothiophen-4-yl)sulfanyl]acetate
Catalog ID
STK692654
SMILES COC(=O)CSc1cc(cc2c1c(Cl)c(s2)c1ccccc1)[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 C17H12ClNO4S2 MW 393.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClNO4S2/c1-23-14(20)9-24-12-7-11(19(21)22)8-13-15(12)16(18)17(25-13)10-5-3-2-4-6-10/h2-8H,9H2,1H3InChIKey
QTEKZHIFAPKEAJ-UHFFFAOYSA-NSynonyms
COC(=O)CSC1=CC(=CC2=C1C(=C(S2)C3=CC=CC=C3)Cl)(N+)(=O)(O)
COC(=O)CSc1cc(cc2c1c(Cl)c(s2)c1ccccc1)(N+)(=O)(O)
InChI=1SC17H12ClNO4S2c12314(20)92412711(19(21)22)81315(12)16(18)17(2513)105324610h28H9H21H3
methyl((3chloro6nitro2phenyl1benzothiophen4yl)sulfanyl)acetate
methyl2((3chloro6nitro2phenyl1benzothiophen4yl)sulfanyl)acetate
MFCD10038702
ZINC000015084458
ZINC15084458
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