Vitas-M small molecule compound

8-methoxy-4,4-dimethyl-6-nitro-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione

Catalog ID
STK789784
SMILES COc1cc2c3c(=S)ssc3C(Nc2c(c1)[N+](=O)[O-])(C)C

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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 C13H12N2O3S3 MW 340.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O3S3/c1-13(2)11-9(12(19)21-20-11)7-4-6(18-3)5-8(15(16)17)10(7)14-13/h4-5,14H,1-3H3
InChIKey
ARAXLFHRAQYQRQ-UHFFFAOYSA-N
Synonyms

8methoxy44dimethyl6nitro45dihydro1H(12)dithiolo(34c)quinoline1thione
8METHOXY44DIMETHYL6NITRO5HDITHIOLO(34C)QUINOLINE1THIONE
CC1(C2=C(C3=CC(=CC(=C3N1)(N+)(=O)(O))OC)C(=S)SS2)C
COc1cc2c3c(=S)ssc3C(Nc2c(c1)(N+)(=O)(O))(C)C
InChI=1SC13H12N2O3S3c113(2)119(12(19)212011)746(183)58(15(16)17)10(7)1413h4514H13H3
MFCD01975687
ZINC000004817296
ZINC04817296
ZINC4817296

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Available files

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