Vitas-M small molecule compound
dimethyl 2-[2,2,6-trimethyl-1-(naphthalen-2-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789017
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)cccc3)/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 C30H25NO5S3 MW 575.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25NO5S3/c1-16-10-13-21-20(14-16)22(29-38-23(27(33)35-4)24(39-29)28(34)36-5)25(37)30(2,3)31(21)26(32)19-12-11-17-8-6-7-9-18(17)15-19/h6-15H,1-5H3InChIKey
YUAZCQISIPPZNB-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC5=CC=CC=C5C=C4
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)cccc3)S1)C(=O)OC
dimethyl2(1(2naphthoyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(226trimethyl1(naphthalen2ylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(226TRIMETHYL1(NAPHTHALENE2CARBONYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC30H25NO5S3c11610132120(1416)22(293823(27(33)354)24(3929)28(34)365)25(37)30(23)31(21)26(32)19121117867918(17)1519h615H15H3
MFCD00643411
ZINC000097994470
ZINC97994470
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