Vitas-M small molecule compound
tetramethyl 6'-butanoyl-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK078398
SMILES CCCC(=O)N1c2ccc(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 C29H31NO9S3 MW 633.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO9S3/c1-9-10-17(31)30-16-12-11-14(2)13-15(16)18-23(28(30,3)4)40-20(25(33)37-6)19(24(32)36-5)29(18)41-21(26(34)38-7)22(42-29)27(35)39-8/h11-13H,9-10H2,1-8H3InChIKey
VOLIWMFTWOEANJ-UHFFFAOYSA-NSynonyms
CCCC(=O)N1C2=C(C=C(C=C2)C)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
CCCC(=O)N1c2ccc(cc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
InChI=1SC29H31NO9S3c191017(31)3016121114(2)1315(16)1823(28(303)4)4020(25(33)376)19(24(32)365)29(18)4121(26(34)387)22(4229)27(35)398h1113H910H218H3
MFCD00753889
STK078398
tetramethyl6butanoyl559trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6butanoyl559trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6butyryl559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008396953
ZINC08396953
ZINC8396953
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.