Vitas-M small molecule compound

dimethyl 2-{2,2,6-trimethyl-1-[(4-methylphenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STL361128
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C)/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 C27H25NO5S3 MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5S3/c1-14-7-10-16(11-8-14)23(29)28-18-12-9-15(2)13-17(18)19(22(34)27(28,3)4)26-35-20(24(30)32-5)21(36-26)25(31)33-6/h7-13H,1-6H3
InChIKey
DYNYRRJFOAWUPU-UHFFFAOYSA-N
Synonyms
301655-47-0
301655470
CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)C)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccc(cc2)C)S1)C(=O)OC
dimethyl2(226trimethyl1((4methylphenyl)carbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(226TRIMETHYL1(4METHYLBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(226TRIMETHYL1(4METHYLBENZOYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(226trimethyl1(4methylbenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H25NO5S3c11471016(11814)23(29)281812915(2)1317(18)19(22(34)27(283)4)263520(24(30)325)21(3626)25(31)336h713H16H3
MFCD00521228
ZINC000008386249
ZINC08386249
ZINC8386249

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Available files

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