Vitas-M small molecule compound

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

Catalog ID
STK041060
SMILES O=C(N1c2ccccc2c2c(C1(C)C)ssc2=S)c1ccc(cc1)C(C)(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 C23H23NOS3 MW 425.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NOS3/c1-22(2,3)15-12-10-14(11-13-15)20(25)24-17-9-7-6-8-16(17)18-19(23(24,4)5)27-28-21(18)26/h6-13H,1-5H3
InChIKey
BNFAIYNHQZBUPD-UHFFFAOYSA-N
Synonyms
330180-39-7
(4(tertbutyl)phenyl)(44dimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)methanone
(4TERTBUTYLPHENYL)(44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)METHANONE
(4TERTBUTYLPHENYL)(44DIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)METHANONE
330180397
4(TERTBUTYL)PHENYL44DIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL)KETONE
5(4TERTBUTYLBENZOYL)44DIMETHYL45DIHYDRO1H(12)DITHIOLO(34C)QUINOLINE1THIONE
CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC=C(C=C4)C(C)(C)C)C(=S)SS2)C
InChI=1SC23H23NOS3c122(23)15121014(111315)20(25)2417976816(17)1819(23(244)5)272821(18)26h613H15H3
MFCD00226619
O=C(N1c2ccccc2c2c(C1(C)C)ssc2=S)c1ccc(cc1)C(C)(C)C
STK041060
ZINC000001751058
ZINC01751058
ZINC1751058

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Available files

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