Vitas-M small molecule compound

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

Catalog ID
STK066224
SMILES O=C(N1c2c(C)cccc2c2c(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 C24H25NOS3 MW 439.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NOS3/c1-14-8-7-9-17-18-20(28-29-22(18)27)24(5,6)25(19(14)17)21(26)15-10-12-16(13-11-15)23(2,3)4/h7-13H,1-6H3
InChIKey
XVBOUAMHXMDEQD-UHFFFAOYSA-N
Synonyms
332073-87-7
(4(tertbutyl)phenyl)(446trimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)methanone
(4TERTBUTYLPHENYL)(446TRIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)METHANONE
(4TERTBUTYLPHENYL)(446TRIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)METHANONE
332073877
4(TERTBUTYL)PHENYL446TRIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL)KETONE
5(4TERTBUTYLBENZOYL)446TRIMETHYL45DIHYDRO1H(12)DITHIOLO(34C)QUINOLINE1THIONE
CC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC24H25NOS3c114879171820(282922(18)27)24(56)25(19(14)17)21(26)15101216(131115)23(23)4h713H16H3
MFCD01087490
O=C(N1c2c(C)cccc2c2c(C1(C)C)ssc2=S)c1ccc(cc1)C(C)(C)C
STK066224
ZINC000002062573
ZINC02062573
ZINC2062573

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Available files

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