Vitas-M small molecule compound
diethyl 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
STL361186
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)cccc3)/S1)C(=O)OCC
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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 C32H29NO5S3 MW 603.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29NO5S3/c1-6-37-29(35)25-26(30(36)38-7-2)41-31(40-25)24-22-16-18(3)12-15-23(22)33(32(4,5)27(24)39)28(34)21-14-13-19-10-8-9-11-20(19)17-21/h8-17H,6-7H2,1-5H3InChIKey
XSZZPCQYNXDNQQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC5=CC=CC=C5C=C4)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)cccc3)S1)C(=O)OCC
diethyl2(226trimethyl1(naphthalen2ylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
diethyl2(226trimethyl1(naphthalene2carbonyl)3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
InChI=1SC32H29NO5S3c163729(35)2526(30(36)3872)4131(4025)24221618(3)121523(22)33(32(45)27(24)39)28(34)2114131910891120(19)1721h817H67H215H3
MFCD00643413
ZINC000097965944
ZINC97965944
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