Vitas-M small molecule compound

dimethyl 2-(1-benzyl-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK084773
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)cc3)Cc2ccccc2)/S1)C(=O)OC

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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 C26H25NO4S3 MW 511.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO4S3/c1-15-11-12-18-17(13-15)19(25-33-20(23(28)30-4)21(34-25)24(29)31-5)22(32)26(2,3)27(18)14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3
InChIKey
AWSMXEMMRCGTMF-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)CC4=CC=CC=C4
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2cc(C)cc3)Cc2ccccc2)S1)C(=O)OC
DIMETHYL2(1BENZYL226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1BENZYL226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC26H25NO4S3c11511121817(1315)19(253320(23(28)304)21(3425)24(29)315)22(32)26(23)27(18)141697681016h613H14H215H3
MFCD01958246
STK084773
ZINC000004064361
ZINC04064361
ZINC4064361

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Available files

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