Vitas-M small molecule compound
diethyl 2-{2,2-dimethyl-1-[(naphthalen-1-yloxy)acetyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789007
SMILES CCOC(=O)C1=C(S/C(=C/2\c3ccccc3N(C(C2=S)(C)C)C(=O)COc2cccc3c2cccc3)/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 C32H29NO6S3 MW 619.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29NO6S3/c1-5-37-29(35)26-27(30(36)38-6-2)42-31(41-26)25-21-15-9-10-16-22(21)33(32(3,4)28(25)40)24(34)18-39-23-17-11-13-19-12-7-8-14-20(19)23/h7-17H,5-6,18H2,1-4H3InChIKey
XADWFJQRRNXRIB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)COC4=CC=CC5=CC=CC=C54)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)COc2cccc3c2cccc3)S1)C(=O)OCC
diethyl2(22dimethyl1((naphthalen1yloxy)acetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
diethyl2(22dimethyl1(2(naphthalen1yloxy)acetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(22DIMETHYL1(2NAPHTHALEN1YLOXYACETYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC32H29NO6S3c153729(35)2627(30(36)3862)4231(4126)2521159101622(21)33(32(34)28(25)40)24(34)1839231711131912781420(19)23h717H5618H214H3
MFCD00643394
ZINC000006545837
ZINC06545837
ZINC6545837
Check stock
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Check stock on Vitas-MAvailable files
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