Vitas-M small molecule compound

biphenyl-4-yl(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone

Catalog ID
STK091000
SMILES O=C(N1c2c(C)cccc2c2c(C1(C)C)ssc2=S)c1ccc(cc1)c1ccccc1

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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 C26H21NOS3 MW 459.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NOS3/c1-16-8-7-11-20-21-23(30-31-25(21)29)26(2,3)27(22(16)20)24(28)19-14-12-18(13-15-19)17-9-5-4-6-10-17/h4-15H,1-3H3
InChIKey
OUJAJBDMJOOYEG-UHFFFAOYSA-N
Synonyms

(11biphenyl)4yl(446trimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)methanone
(4PHENYLPHENYL)(446TRIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)METHANONE
4PHENYLPHENYL446TRIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL)KETONE
BIPHENYL4YL(446TRIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)METHANONE
CC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI=1SC26H21NOS3c1168711202123(303125(21)29)26(23)27(22(16)20)24(28)19141218(131519)1795461017h415H13H3
MFCD01872462
O=C(N1c2c(C)cccc2c2c(C1(C)C)ssc2=S)c1ccc(cc1)c1ccccc1
STK091000
ZINC000002296860
ZINC02296860
ZINC2296860

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Available files

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