Vitas-M small molecule compound
dimethyl 2-{1-[(4-fluorophenyl)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789155
SMILES COC(=O)C1=C(S/C(=C/2\c3ccccc3N(C(C2=S)(C)C)C(=O)Cc2ccc(cc2)F)/S1)C(=O)OC
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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 C26H22FNO5S3 MW 543.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FNO5S3/c1-26(2)22(34)19(25-35-20(23(30)32-3)21(36-25)24(31)33-4)16-7-5-6-8-17(16)28(26)18(29)13-14-9-11-15(27)12-10-14/h5-12H,13H2,1-4H3InChIKey
IJEZXQVAJGVJAI-UHFFFAOYSA-NSynonyms
303177-15-3303177153
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)CC4=CC=C(C=C4)F)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)Cc2ccc(cc2)F)S1)C(=O)OC
dimethyl2(1((4fluorophenyl)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(4FLUOROPHENYL)ACETYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(4fluorophenyl)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H22FNO5S3c126(2)22(34)19(253520(23(30)323)21(3625)24(31)334)16756817(16)28(26)18(29)131491115(27)121014h512H13H214H3
MFCD00616806
ZINC000006190996
ZINC6190996
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