Vitas-M small molecule compound

dimethyl 2-(2,2,7-trimethyl-1-propanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK047938
SMILES CCC(=O)N1c2cc(C)ccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(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 C22H23NO5S3 MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5S3/c1-7-14(24)23-13-10-11(2)8-9-12(13)15(18(29)22(23,3)4)21-30-16(19(25)27-5)17(31-21)20(26)28-6/h8-10H,7H2,1-6H3
InChIKey
PBWRKPNNKRJCDV-UHFFFAOYSA-N
Synonyms
331640-31-4
331640314
CCC(=O)N1C2=C(C=CC(=C2)C)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
CCC(=O)N1c2cc(C)ccc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C
DIMETHYL2(227TRIMETHYL1PROPANOYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(227TRIMETHYL1PROPANOYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(227TRIMETHYL1PROPIONYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(227trimethyl1propionyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC22H23NO5S3c1714(24)23131011(2)8912(13)15(18(29)22(233)4)213016(19(25)275)17(3121)20(26)286h810H7H216H3
MFCD01156170
STK047938
ZINC000006461867
ZINC06461867
ZINC6461867

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Available files

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