Vitas-M small molecule compound

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

Catalog ID
STK789125
SMILES CCCC(C(=O)N1c2ccc(cc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)OC)CCC

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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 C33H39NO10S3 MW 705.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39NO10S3/c1-10-12-17(13-11-2)27(35)34-20-15-14-18(40-5)16-19(20)21-26(32(34,3)4)45-23(29(37)42-7)22(28(36)41-6)33(21)46-24(30(38)43-8)25(47-33)31(39)44-9/h14-17H,10-13H2,1-9H3
InChIKey
CFCWPVPDCZNTNW-UHFFFAOYSA-N
Synonyms

CCCC(CCC)C(=O)N1C2=C(C=C(C=C2)OC)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC33H39NO10S3c1101217(13112)27(35)3420151418(405)1619(20)2126(32(343)4)4523(29(37)427)22(28(36)416)33(21)4624(30(38)438)25(4733)31(39)449h1417H1013H219H3
MFCD03488082
tetramethyl9methoxy55dimethyl6(2propylpentanoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6(2propylpentanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6(2propylpentanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150435602
ZINC150435602

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Available files

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