Vitas-M small molecule compound

dimethyl 2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-8-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK078881
SMILES COc1cccc2c1N(C(=O)CN1C(=O)CCC1=O)C(C(=S)/C/2=C/1\SC(=C(S1)C(=O)OC)C(=O)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 C25H24N2O8S3 MW 576.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O8S3/c1-25(2)21(36)17(24-37-19(22(31)34-4)20(38-24)23(32)35-5)12-7-6-8-13(33-3)18(12)27(25)16(30)11-26-14(28)9-10-15(26)29/h6-8H,9-11H2,1-5H3
InChIKey
HDGVMJZHFUEPEP-UHFFFAOYSA-N
Synonyms

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)CN4C(=O)CCC4=O)C(=CC=C3)OC)C
COc1cccc2c1N(C(=O)CN1C(=O)CCC1=O)C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
DIMETHYL2(1((25DIOXO1PYRROLIDINYL)ACETYL)8METHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((25DIOXOPYRROLIDIN1YL)ACETYL)8METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(25DIOXOPYRROLIDIN1YL)ACETYL)8METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(25dioxopyrrolidin1yl)acetyl)8methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H24N2O8S3c125(2)21(36)17(243719(22(31)344)20(3824)23(32)355)1276813(333)18(12)27(25)16(30)112614(28)91015(26)29h68H911H215H3
METHYL2(1(2(25DIOXOAZOLIDINYL)ACETYL)8METHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01068164
STK078881
ZINC000006190977
ZINC06190977
ZINC6190977

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Available files

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