Vitas-M small molecule compound
tetramethyl 6'-[(2,4-dichlorophenyl)carbonyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK789645
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)c1ccc(cc1Cl)Cl)SC(=C(S2)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 C31H25Cl2NO9S3 MW 722.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25Cl2NO9S3/c1-30(2)24-19(16-9-7-8-10-18(16)34(30)25(35)15-12-11-14(32)13-17(15)33)31(20(26(36)40-3)21(44-24)27(37)41-4)45-22(28(38)42-5)23(46-31)29(39)43-6/h7-13H,1-6H3InChIKey
JIFKIEJPPZQUCR-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=C(C=C(C=C4)Cl)Cl)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
InChI=1SC31H25Cl2NO9S3c130(2)2419(169781018(16)34(30)25(35)15121114(32)1317(15)33)31(20(26(36)403)21(4424)27(37)414)4522(28(38)425)23(4631)29(39)436h713H16H3
MFCD01561899
tetramethyl6((24dichlorophenyl)carbonyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(24dichlorobenzoyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(24dichlorobenzoyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150356259
ZINC150356259
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