Vitas-M small molecule compound

tetramethyl 6'-butanoyl-5',5',7',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK003258
SMILES CCCC(=O)N1c2c(C)cc(cc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C

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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 C30H33NO9S3 MW 647.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO9S3/c1-10-11-17(32)31-20-15(3)12-14(2)13-16(20)18-24(29(31,4)5)41-21(26(34)38-7)19(25(33)37-6)30(18)42-22(27(35)39-8)23(43-30)28(36)40-9/h12-13H,10-11H2,1-9H3
InChIKey
YNBUDRVPINSKQH-UHFFFAOYSA-N
Synonyms

CCCC(=O)N1C2=C(C=C(C=C2C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C)C
CCCC(=O)N1c2c(C)cc(cc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
InChI=1SC30H33NO9S3c1101117(32)312015(3)1214(2)1316(20)1824(29(314)5)4121(26(34)387)19(25(33)376)30(18)4222(27(35)398)23(4330)28(36)409h1213H1011H219H3
MFCD01560830
STK003258
tetramethyl6butanoyl5579tetramethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6butanoyl5579tetramethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6butyryl5579tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150356364
ZINC150356364

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.