Vitas-M small molecule compound

ethyl (2Z)-5-phenyl-2-[2,2,6,7-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4-carboxylate

Catalog ID
STK789389
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C(F)(F)F)C)/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 C27H24F3NO3S3 MW 563.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24F3NO3S3/c1-6-34-23(32)21-20(16-10-8-7-9-11-16)36-24(37-21)19-17-12-14(2)15(3)13-18(17)31(25(33)27(28,29)30)26(4,5)22(19)35/h7-13H,6H2,1-5H3/b24-19-
InChIKey
JZHXZBADGBNDBQ-CLCOLTQESA-N
Synonyms

(Z)ethyl5phenyl2(2267tetramethyl3thioxo1(222trifluoroacetyl)23dihydroquinolin4(1H)ylidene)13dithiole4carboxylate
CCOC(=O)C1=C(SC(=C2C3=CC(=C(C=C3N(C(C2=S)(C)C)C(=O)C(F)(F)F)C)C)S1)C4=CC=CC=C4
CCOC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C(F)(F)F)C)S1)c1ccccc1
ethyl(2Z)5phenyl2(2267tetramethyl3sulfanylidene1(222trifluoroacetyl)quinolin4ylidene)13dithiole4carboxylate
ethyl(2Z)5phenyl2(2267tetramethyl3thioxo1(trifluoroacetyl)23dihydroquinolin4(1H)ylidene)13dithiole4carboxylate
InChI=1SC27H24F3NO3S3c163423(32)2120(16108791116)3624(3721)19171214(2)15(3)1318(17)31(25(33)27(2829)30)26(45)22(19)35h713H6H215H3b2419
MFCD01156132
ZINC000001885566
ZINC01885566
ZINC1885566

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.