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Vitas-M small molecule compound

dimethyl 2-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK005850
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)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 C30H26N2O7S3 MW 622.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O7S3/c1-14-11-12-19-18(13-14)20(29-41-21(27(36)38-5)22(42-29)28(37)39-6)23(40)30(3,4)32(19)24(33)15(2)31-25(34)16-9-7-8-10-17(16)26(31)35/h7-13,15H,1-6H3
InChIKey
UGTSZGBHVOWGLY-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C(C)N4C(=O)C5=CC=CC=C5C4=O
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)C)S1)C(=O)OC
DIMETHYL2(1(2(13DIOXO13DIHYDRO2HISOINDOL2YL)PROPANOYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13DIOXOISOINDOL2YL)PROPANOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(13dioxoisoindolin2yl)propanoyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC30H26N2O7S3c11411121918(1314)20(294121(27(36)385)22(4229)28(37)396)23(40)30(34)32(19)24(33)15(2)3125(34)169781017(16)26(31)35h71315H16H3
METHYL2(1(2(13DIOXOBENZO(C)AZOLIN2YL)PROPANOYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01363266
STK005850
ZINC000100112444
ZINC000100112449

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Available files

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