Vitas-M small molecule compound

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

Catalog ID
STK056427
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)C=C)(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 C23H23NO6S3 MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO6S3/c1-7-15(25)24-14-10-9-12(30-8-2)11-13(14)16(19(31)23(24,3)4)22-32-17(20(26)28-5)18(33-22)21(27)29-6/h7,9-11H,1,8H2,2-6H3
InChIKey
DNONTHAWHVLAJL-UHFFFAOYSA-N
Synonyms
330180-37-5
330180375
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C=C
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C=C)(C)C
DIMETHYL2(1ACRYLOYL6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6ETHOXY22DIMETHYL1PROP2ENOYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC23H23NO6S3c1715(25)241410912(3082)1113(14)16(19(31)23(243)4)223217(20(26)285)18(3322)21(27)296h7911H18H226H3
METHYL2(6ETHOXY22DIMETHYL1PROP2ENOYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01138009
STK056427
ZINC000006631046
ZINC06631046
ZINC6631046

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Available files

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