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Vitas-M small molecule compound

tetraethyl 5',5',9'-trimethyl-6'-(naphthalen-1-ylcarbonyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK045470
SMILES CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)c1cccc3c1cccc3)SC(=C(S2)C(=O)OCC)C(=O)OCC

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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 C40H39NO9S3 MW 773.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H39NO9S3/c1-8-47-35(43)29-30(36(44)48-9-2)51-33-28(40(29)52-31(37(45)49-10-3)32(53-40)38(46)50-11-4)26-21-22(5)19-20-27(26)41(39(33,6)7)34(42)25-18-14-16-23-15-12-13-17-24(23)25/h12-21H,8-11H2,1-7H3
InChIKey
SMRBTAGZLULFNK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)c1cccc3c1cccc3)SC(=C(S2)C(=O)OCC)C(=O)OCC
CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=CC(=C4)C)N(C2(C)C)C(=O)C5=CC=CC6=CC=CC=C65)C(=O)OCC
InChI=1SC40H39NO9S3c184735(43)2930(36(44)4892)513328(40(29)5231(37(45)49103)32(5340)38(46)50114)262122(5)192027(26)41(39(336)7)34(42)25181416231512131724(23)25h1221H811H217H3
MFCD01975664
STK045470
tetraethyl559trimethyl6(naphthalen1ylcarbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl559trimethyl6(naphthalene1carbonyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6(1naphthoyl)559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150392956
ZINC150392956

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Available files

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