Vitas-M small molecule compound
diethyl 2-[2,2,7-trimethyl-1-(naphthalen-2-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789019
SMILES CCOC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)cccc3)C)/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)24-22-15-12-18(3)16-23(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
RDTWFJULKQQODO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=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(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)cccc3)C)S1)C(=O)OCC
diethyl2(1(2naphthoyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
diethyl2(227trimethyl1(naphthalen2ylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(227TRIMETHYL1(NAPHTHALENE2CARBONYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC32H29NO5S3c163729(35)2526(30(36)3872)4131(4025)2422151218(3)1623(22)33(32(45)27(24)39)28(34)2114131910891120(19)1721h817H67H215H3
MFCD00643415
ZINC000097994472
ZINC97994472
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.