Vitas-M small molecule compound

dimethyl 2-{6-methoxy-1-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789254
SMILES COc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)/C=C/c1ccc(cc1)OC)(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 C29H27NO7S3 MW 597.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO7S3/c1-29(2)25(38)22(28-39-23(26(32)36-5)24(40-28)27(33)37-6)19-15-18(35-4)12-13-20(19)30(29)21(31)14-9-16-7-10-17(34-3)11-8-16/h7-15H,1-6H3/b14-9+
InChIKey
JSQNRWZXJRENMW-NTEUORMPSA-N
Synonyms

(E)dimethyl2(6methoxy1(3(4methoxyphenyl)acryloyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C=CC4=CC=C(C=C4)OC)C=CC(=C3)OC)C
COc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C=Cc1ccc(cc1)OC)(C)C
dimethyl2(6methoxy1((2E)3(4methoxyphenyl)prop2enoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(6METHOXY1((E)3(4METHOXYPHENYL)PROP2ENOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC29H27NO7S3c129(2)25(38)22(283923(26(32)365)24(4028)27(33)376)191518(354)121320(19)30(29)21(31)1491671017(343)11816h715H16H3b149+
MFCD01079431
ZINC000006190961
ZINC6190961

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Available files

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