Vitas-M small molecule compound

(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone

Catalog ID
STL361130
SMILES CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)c1ccc(cc1)[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 C21H18N2O4S3 MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S3/c1-4-27-14-9-10-16-15(11-14)17-18(29-30-20(17)28)21(2,3)22(16)19(24)12-5-7-13(8-6-12)23(25)26/h5-11H,4H2,1-3H3
InChIKey
VHAYAMDLHFYOHL-UHFFFAOYSA-N
Synonyms

(8ETHOXY44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)(4NITROPHENYL)METHANONE
(8ethoxy44dimethyl1thioxo14dihydro5H(12)dithiolo(34c)quinolin5yl)(4nitrophenyl)methanone
8ETHOXY44DIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL)4NITROPHENYLKETONE
8ETHOXY5(4NITROBENZOYL)44DIMETHYL45DIHYDRO1H(12)DITHIOLO(34C)QUINOLINE1THIONE
CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)c1ccc(cc1)(N+)(=O)(O))(C)C
InChI=1SC21H18N2O4S3c1427149101615(1114)1718(293020(17)28)21(23)22(16)19(24)125713(8612)23(25)26h511H4H213H3
MFCD00526424
ZINC000002052733
ZINC02052733
ZINC2052733

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Available files

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