Vitas-M small molecule compound
tetramethyl 6'-butanoyl-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK092077
SMILES CCCC(=O)N1c2ccccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)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 C28H29NO9S3 MW 619.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO9S3/c1-8-11-16(30)29-15-13-10-9-12-14(15)17-22(27(29,2)3)39-19(24(32)36-5)18(23(31)35-4)28(17)40-20(25(33)37-6)21(41-28)26(34)38-7/h9-10,12-13H,8,11H2,1-7H3InChIKey
OWLPETAGOSQRPC-UHFFFAOYSA-NSynonyms
CCCC(=O)N1C2=CC=CC=C2C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
CCCC(=O)N1c2ccccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC28H29NO9S3c181116(30)2915131091214(15)1722(27(292)3)3919(24(32)365)18(23(31)354)28(17)4020(25(33)376)21(4128)26(34)387h9101213H811H217H3
MFCD01559451
STK092077
tetramethyl6butanoyl55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6butanoyl55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6butyryl55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000004182170
ZINC04182170
ZINC4182170
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.