Vitas-M small molecule compound
dimethyl 2-{1-[(4-fluorophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK788982
SMILES COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccc(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 C25H20FNO5S3 MW 529.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FNO5S3/c1-25(2)20(33)17(24-34-18(22(29)31-3)19(35-24)23(30)32-4)15-7-5-6-8-16(15)27(25)21(28)13-9-11-14(26)12-10-13/h5-12H,1-4H3InChIKey
XWBMZTOGVMTBCK-UHFFFAOYSA-NSynonyms
304446-27-3304446273
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC=C(C=C4)F)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)F)S1)C(=O)OC
dimethyl2(1((4fluorophenyl)carbonyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(4FLUOROBENZOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(4fluorobenzoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H20FNO5S3c125(2)20(33)17(243418(22(29)313)19(3524)23(30)324)15756816(15)27(25)21(28)1391114(26)121013h512H14H3
MFCD00630835
ZINC000059845126
ZINC59845126
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