Vitas-M small molecule compound

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

Catalog ID
STK357141
SMILES O=C(N1c2c(C)cccc2c2c(C1(C)C)ssc2=S)c1ccc2c(c1)OCO2

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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 C21H17NO3S3 MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO3S3/c1-11-5-4-6-13-16-18(27-28-20(16)26)21(2,3)22(17(11)13)19(23)12-7-8-14-15(9-12)25-10-24-14/h4-9H,10H2,1-3H3
InChIKey
NHZSEODREJNQDT-UHFFFAOYSA-N
Synonyms

13BENZODIOXOL5YL(446TRIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)METHANONE
13benzodioxol5yl(446trimethyl1thioxo14dihydro5H(12)dithiolo(34c)quinolin5yl)methanone
2HBENZO(34D)13DIOXOLAN5YL446TRIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL)KETONE
benzo(d)(13)dioxol5yl(446trimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)methanone
CC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC21H17NO3S3c111546131618(272820(16)26)21(23)22(17(11)13)19(23)12781415(912)25102414h49H10H213H3
MFCD01088036
ZINC000002307882
ZINC02307882
ZINC2307882

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Available files

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