Vitas-M small molecule compound

1-(7-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one

Catalog ID
STK062699
SMILES CCCCC(=O)N1c2cc(OC)ccc2c2c(C1(C)C)ssc2=S

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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 C18H21NO2S3 MW 379.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO2S3/c1-5-6-7-14(20)19-13-10-11(21-4)8-9-12(13)15-16(18(19,2)3)23-24-17(15)22/h8-10H,5-7H2,1-4H3
InChIKey
IMUJXPLMHVFOKO-UHFFFAOYSA-N
Synonyms
369403-38-3
1(7METHOXY44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)PENTAN1ONE
1(7METHOXY44DIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)PENTAN1ONE
1(7methoxy44dimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)pentan1one
1(7METHOXY44DIMETHYL1THIOXO45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL)PENTAN1ONE
369403383
CCCCC(=O)N1C2=C(C=CC(=C2)OC)C3=C(C1(C)C)SSC3=S
CCCCC(=O)N1c2cc(OC)ccc2c2c(C1(C)C)ssc2=S
InChI=1SC18H21NO2S3c156714(20)19131011(214)8912(13)1516(18(192)3)232417(15)22h810H57H214H3
MFCD03010882
STK062699
ZINC000001831379
ZINC01831379
ZINC1831379

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Available files

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