Vitas-M small molecule compound

tetramethyl 6'-[(3-chloro-1-benzothiophen-2-yl)carbonyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK056002
SMILES COc1ccc2c(c1)C1=C(C(N2C(=O)c2sc3c(c2Cl)cccc3)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)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 C34H28ClNO10S4 MW 774.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28ClNO10S4/c1-33(2)27-20(17-14-15(42-3)12-13-18(17)36(33)28(37)24-22(35)16-10-8-9-11-19(16)47-24)34(21(29(38)43-4)23(48-27)30(39)44-5)49-25(31(40)45-6)26(50-34)32(41)46-7/h8-14H,1-7H3
InChIKey
JDAFCAFFMWGLDK-UHFFFAOYSA-N
Synonyms

CC1(C2=C(C3=C(N1C(=O)C4=C(C5=CC=CC=C5S4)Cl)C=CC(=C3)OC)C6(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S6)C(=O)OC)C(=O)OC)C
COc1ccc2c(c1)C1=C(C(N2C(=O)c2sc3c(c2Cl)cccc3)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC34H28ClNO10S4c133(2)2720(171415(423)121318(17)36(33)28(37)2422(35)1610891119(16)4724)34(21(29(38)434)23(4827)30(39)445)4925(31(40)456)26(5034)32(41)467h814H17H3
MFCD01565702
STK056002
tetramethyl6((3chloro1benzothiophen2yl)carbonyl)9methoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3chloro1benzothiophene2carbonyl)9methoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(3chlorobenzo(b)thiophene2carbonyl)9methoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097999404
ZINC97999404

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Available files

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