Vitas-M small molecule compound
diethyl 2-{7-ethoxy-4-[(4-fluorophenoxy)acetyl]-3,3-dimethyl-2-thioxo-3,4-dihydronaphthalen-1(2H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STL438576
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(C2C(=O)COc1ccc(cc1)F)(C)C
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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 C31H31FO7S3 MW 630.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31FO7S3/c1-6-36-19-13-14-20-21(15-19)23(30-41-25(28(34)37-7-2)26(42-30)29(35)38-8-3)27(40)31(4,5)24(20)22(33)16-39-18-11-9-17(32)10-12-18/h9-15,24H,6-8,16H2,1-5H3InChIKey
HOEPAQRPWJOMAM-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)C(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)COC4=CC=C(C=C4)F
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OCC)C(=O)OCC)C(=S)C(C2C(=O)COc1ccc(cc1)F)(C)C
diethyl2(7ethoxy4((4fluorophenoxy)acetyl)33dimethyl2thioxo34dihydronaphthalen1(2H)ylidene)13dithiole45dicarboxylate
DIETHYL2(7ETHOXY4(2(4FLUOROPHENOXY)ACETYL)33DIMETHYL2SULFANYLIDENE4HNAPHTHALEN1YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(7ETHOXY4(2(4FLUOROPHENOXY)ACETYL)33DIMETHYL2THIOXO34DIHYDRONAPHTHALEN1(2H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC31H31FO7S3c16361913142021(1519)23(304125(28(34)3772)26(4230)29(35)3883)27(40)31(45)24(20)22(33)16391811917(32)101218h91524H6816H215H3
MFCD06244712
ZINC000008711978
ZINC000008711979
ZINC08711978
Check stock
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Check stock on Vitas-MAvailable files
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