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Vitas-M small molecule compound

tetramethyl 6'-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK053252
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)c1sc3c(c1Cl)cccc3)SC(=C(S2)C(=O)OC)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 C33H26ClNO9S4 MW 744.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26ClNO9S4/c1-32(2)26-19(15-11-7-9-13-17(15)35(32)27(36)23-21(34)16-12-8-10-14-18(16)45-23)33(20(28(37)41-3)22(46-26)29(38)42-4)47-24(30(39)43-5)25(48-33)31(40)44-6/h7-14H,1-6H3
InChIKey
ZKMZQDNVPDPVLU-UHFFFAOYSA-N
Synonyms
336176-05-7
336176057
CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=C(C5=CC=CC=C5S4)Cl)C6(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S6)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)c1sc3c(c1Cl)cccc3)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC33H26ClNO9S4c132(2)2619(1511791317(15)35(32)27(36)2321(34)16128101418(16)4523)33(20(28(37)413)22(4626)29(38)424)4724(30(39)435)25(4833)31(40)446h714H16H3
MFCD01564981
STK053252
tetramethyl6((3chloro1benzothiophen2yl)carbonyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3chloro1benzothiophene2carbonyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3chlorobenzo(b)thiophene2carbonyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008443767
ZINC08443767
ZINC8443767

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Available files

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