Vitas-M small molecule compound

ethyl (2Z)-2-[2,2-dimethyl-1-(naphthalen-1-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate

Catalog ID
STK024910
SMILES CCOC(=O)C1=C(S/C(=C/2\c3ccccc3N(C(C2=S)(C)C)C(=O)c2cccc3c2cccc3)/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 C34H27NO3S3 MW 593.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27NO3S3/c1-4-38-32(37)29-28(22-14-6-5-7-15-22)40-33(41-29)27-25-18-10-11-20-26(25)35(34(2,3)30(27)39)31(36)24-19-12-16-21-13-8-9-17-23(21)24/h5-20H,4H2,1-3H3/b33-27-
InChIKey
MCWNMUBQHKUEBI-KGGMANCPSA-N
Synonyms

(Z)ethyl2(1(1naphthoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC=CC5=CC=CC=C54)S1)C6=CC=CC=C6
CCOC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)c2cccc3c2cccc3)S1)c1ccccc1
ETHYL(2Z)2(22DIMETHYL1(NAPHTHALEN1YLCARBONYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ETHYL(2Z)2(22DIMETHYL1(NAPHTHALENE1CARBONYL)3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ETHYL2(22DIMETHYL1(NAPHTHYLCARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5PHENYL13DITHIOLENE4CARBOXYLATE
InChI=1SC34H27NO3S3c143832(37)2928(22146571522)4033(4129)27251810112026(25)35(34(23)30(27)39)31(36)241912162113891723(21)24h520H4H213H3b3327
MFCD01171527
STK024910
ZINC000100112265
ZINC100112265

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Available files

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