Vitas-M small molecule compound
ethyl (2Z)-2-[6-methoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK789267
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2ccccc2)/S1)c1ccccc1
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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 C31H27NO4S3 MW 573.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO4S3/c1-5-36-29(34)26-25(19-12-8-6-9-13-19)38-30(39-26)24-22-18-21(35-4)16-17-23(22)32(31(2,3)27(24)37)28(33)20-14-10-7-11-15-20/h6-18H,5H2,1-4H3/b30-24-InChIKey
OGWIOWOJTPBNHR-KRUMMXJUSA-NSynonyms
(Z)ethyl2(1benzoyl6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)S1)C5=CC=CC=C5
CCOC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2ccccc2)S1)c1ccccc1
ETHYL(2Z)2(1BENZOYL6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ethyl(2Z)2(6methoxy22dimethyl1(phenylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
InChI=1SC31H27NO4S3c153629(34)2625(19128691319)3830(3926)24221821(354)161723(22)32(31(23)27(24)37)28(33)2014107111520h618H5H214H3b3024
MFCD00981273
ZINC000002612891
ZINC2612891
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