Vitas-M small molecule compound
dimethyl 2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK084368
SMILES COc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)CN1C(=O)CCC1=O)(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)18(24-37-19(22(31)34-4)20(38-24)23(32)35-5)13-10-12(33-3)6-7-14(13)27(25)17(30)11-26-15(28)8-9-16(26)29/h6-7,10H,8-9,11H2,1-5H3InChIKey
MBNGCCFGTAHIMZ-UHFFFAOYSA-NSynonyms
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
COc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CN1C(=O)CCC1=O)(C)C
DIMETHYL2(1((25DIOXOPYRROLIDIN1YL)ACETYL)6METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(25DIOXOPYRROLIDIN1YL)ACETYL)6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(25dioxopyrrolidin1yl)acetyl)6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H24N2O8S3c125(2)21(36)18(243719(22(31)344)20(3824)23(32)355)131012(333)6714(13)27(25)17(30)112615(28)8916(26)29h6710H8911H215H3
METHYL2(1(2(25DIOXOAZOLIDINYL)ACETYL)6METHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01068160
STK084368
ZINC000033353558
ZINC33353558
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