Vitas-M small molecule compound
ethyl (2Z)-2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK094479
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)/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 C35H30N2O6S3 MW 670.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N2O6S3/c1-5-42-21-16-17-25-24(18-21)27(34-45-28(20-12-8-7-9-13-20)29(46-34)33(41)43-6-2)30(44)35(3,4)37(25)26(38)19-36-31(39)22-14-10-11-15-23(22)32(36)40/h7-18H,5-6,19H2,1-4H3/b34-27-InChIKey
ASOOSFBKWXVYKA-YLHCSOALSA-NSynonyms
(Z)ethyl2(1(2(13dioxoisoindolin2yl)acetyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CCOC(=O)C1=C(SC(=C2c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)S1)c1ccccc1
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)(C)C)C(=O)CN5C(=O)C6=CC=CC=C6C5=O
ETHYL(2Z)2(1((13DIOXO13DIHYDRO2HISOINDOL2YL)ACETYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ETHYL(2Z)2(1(2(13DIOXOISOINDOL2YL)ACETYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
InChI=1SC35H30N2O6S3c15422116172524(1821)27(344528(20128791320)29(4634)33(41)4362)30(44)35(34)37(25)26(38)193631(39)221410111523(22)32(36)40h718H5619H214H3b3427
MFCD01068175
STK094479
ZINC000097959254
ZINC97959254
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