Vitas-M small molecule compound
dimethyl 2-{1-[(4-fluorophenyl)acetyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789156
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(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 C27H24FNO5S3 MW 557.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24FNO5S3/c1-14-6-11-18-17(12-14)20(26-36-21(24(31)33-4)22(37-26)25(32)34-5)23(35)27(2,3)29(18)19(30)13-15-7-9-16(28)10-8-15/h6-12H,13H2,1-5H3InChIKey
YPXOQRRKUTYZHF-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CC4=CC=C(C=C4)F
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)Cc2ccc(cc2)F)S1)C(=O)OC
dimethyl2(1((4fluorophenyl)acetyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(4FLUOROPHENYL)ACETYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(4fluorophenyl)acetyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H24FNO5S3c1146111817(1214)20(263621(24(31)334)22(3726)25(32)345)23(35)27(23)29(18)19(30)13157916(28)10815h612H13H215H3
MFCD00616807
ZINC000059640884
ZINC59640884
Check stock
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