Vitas-M small molecule compound
tetramethyl 9'-ethoxy-5',5'-dimethyl-6'-pentanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK023134
SMILES CCCCC(=O)N1c2ccc(cc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)OCC
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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 C31H35NO10S3 MW 677.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO10S3/c1-9-11-12-19(33)32-18-14-13-16(42-10-2)15-17(18)20-25(30(32,3)4)43-22(27(35)39-6)21(26(34)38-5)31(20)44-23(28(36)40-7)24(45-31)29(37)41-8/h13-15H,9-12H2,1-8H3InChIKey
RXAIIMCSPDDUIQ-UHFFFAOYSA-NSynonyms
CCCCC(=O)N1C2=C(C=C(C=C2)OCC)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
CCCCC(=O)N1c2ccc(cc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)OCC
InChI=1SC31H35NO10S3c19111219(33)3218141316(42102)1517(18)2025(30(323)4)4322(27(35)396)21(26(34)385)31(20)4423(28(36)407)24(4531)29(37)418h1315H912H218H3
MFCD01562678
STK023134
tetramethyl9ethoxy55dimethyl6pentanoyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6pentanoyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6pentanoylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150345002
ZINC150345002
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.