Vitas-M small molecule compound

2-[1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STK070341
SMILES CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1)(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 C31H26N2O4S3 MW 586.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O4S3/c1-4-37-19-14-15-23-22(17-19)25-26(39-40-30(25)38)31(2,3)33(23)29(36)24(16-18-10-6-5-7-11-18)32-27(34)20-12-8-9-13-21(20)28(32)35/h5-15,17,24H,4,16H2,1-3H3
InChIKey
KMLIAGJDFZIJAD-UHFFFAOYSA-N
Synonyms

2(1(8ETHOXY44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)1OXO3PHENYLPROPAN2YL)ISOINDOLE13DIONE
2(1(8ETHOXY44DIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)1OXO3PHENYLPROPAN2YL)1HISOINDOLE13(2H)DIONE
2(1(8ethoxy44dimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)1oxo3phenylpropan2yl)isoindoline13dione
2(2(8ETHOXY44DIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL))2OXO1BENZYLETHYL)BENZO(C)AZOLINE13DIONE
CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O
CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1)(C)C
InChI=1SC31H26N2O4S3c14371914152322(1719)2526(394030(25)38)31(23)33(23)29(36)24(1618106571118)3227(34)2012891321(20)28(32)35h5151724H416H213H3
MFCD01171281
STK070341
ZINC000001899573
ZINC000001899574

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Available files

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