Vitas-M small molecule compound

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

Catalog ID
STK038089
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C)/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 C21H21NO5S3 MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5S3/c1-10-7-8-13-12(9-10)14(17(28)21(3,4)22(13)11(2)23)20-29-15(18(24)26-5)16(30-20)19(25)27-6/h7-9H,1-6H3
InChIKey
BZVIHROEHSBMSA-UHFFFAOYSA-N
Synonyms
307329-33-5
307329335
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C)S1)C(=O)OC
DIMETHYL2(1ACETYL226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1ACETYL226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1ACETYL226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC21H21NO5S3c110781312(910)14(17(28)21(34)22(13)11(2)23)202915(18(24)265)16(3020)19(25)276h79H16H3
METHYL2(1ACETYL226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00532511
STK038089
ZINC000008398575
ZINC08398575
ZINC8398575

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Available files

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