Vitas-M small molecule compound
dimethyl 2-{1-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789256
SMILES COc1ccc(cc1)/C=C/C(=O)N1c2c(C)cccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(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 C29H27NO6S3 MW 581.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO6S3/c1-16-8-7-9-19-21(28-38-23(26(32)35-5)24(39-28)27(33)36-6)25(37)29(2,3)30(22(16)19)20(31)15-12-17-10-13-18(34-4)14-11-17/h7-15H,1-6H3/b15-12+InChIKey
KRBJKENFWXXKJG-NTCAYCPXSA-NSynonyms
(E)dimethyl2(1(3(4methoxyphenyl)acryloyl)228trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
CC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C=CC4=CC=C(C=C4)OC
COc1ccc(cc1)C=CC(=O)N1c2c(C)cccc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C
dimethyl2(1((2E)3(4methoxyphenyl)prop2enoyl)228trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1((E)3(4METHOXYPHENYL)PROP2ENOYL)228TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC29H27NO6S3c1168791921(283823(26(32)355)24(3928)27(33)366)25(37)29(23)30(22(16)19)20(31)151217101318(344)141117h715H16H3b1512+
METHYL2(1((2E)3(4METHOXYPHENYL)PROP2ENOYL)228TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01079440
ZINC000100534235
ZINC100534235
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