Vitas-M small molecule compound
tetramethyl 5',5'-dimethyl-6'-(2-methylbutanoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK063538
SMILES CCC(C(=O)N1c2ccccc2C2=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/c1-9-14(2)23(31)30-16-13-11-10-12-15(16)17-22(28(30,3)4)40-19(25(33)37-6)18(24(32)36-5)29(17)41-20(26(34)38-7)21(42-29)27(35)39-8/h10-14H,9H2,1-8H3InChIKey
YEFNRGJDPMPANJ-UHFFFAOYSA-NSynonyms
CCC(C(=O)N1c2ccccc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
CCC(C)C(=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
InChI=1SC29H31NO9S3c1914(2)23(31)30161311101215(16)1722(28(303)4)4019(25(33)376)18(24(32)365)29(17)4120(26(34)387)21(4229)27(35)398h1014H9H218H3
MFCD01859255
STK063538
tetramethyl55dimethyl6(2methylbutanoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(2methylbutanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(2methylbutanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150449467
ZINC000150449475
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.