Vitas-M small molecule compound
dimethyl 2-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789431
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)Cc2ccccc2)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 C37H32N2O7S3 MW 712.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H32N2O7S3/c1-19-16-24-25(17-20(19)2)39(37(3,4)30(47)27(24)36-48-28(34(43)45-5)29(49-36)35(44)46-6)33(42)26(18-21-12-8-7-9-13-21)38-31(40)22-14-10-11-15-23(22)32(38)41/h7-17,26H,18H2,1-6H3InChIKey
NWLFXPODQPXUDQ-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)Cc2ccccc2)C)S1)C(=O)OC
dimethyl2(1(2(13dioxo13dihydro2Hisoindol2yl)3phenylpropanoyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13dioxoisoindol2yl)3phenylpropanoyl)2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13dioxoisoindolin2yl)3phenylpropanoyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC37H32N2O7S3c119162425(1720(19)2)39(37(34)30(47)27(24)364828(34(43)455)29(4936)35(44)466)33(42)26(1821128791321)3831(40)221410111523(22)32(38)41h71726H18H216H3
MFCD01171289
ZINC000008430609
ZINC000008430611
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