Vitas-M small molecule compound
tetramethyl 5',5',9'-trimethyl-6'-{[4-(trifluoromethyl)phenyl]carbonyl}-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK003309
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)c1ccc(cc1)C(F)(F)F)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 C33H28F3NO9S3 MW 735.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28F3NO9S3/c1-15-8-13-19-18(14-15)20-25(31(2,3)37(19)26(38)16-9-11-17(12-10-16)33(34,35)36)47-22(28(40)44-5)21(27(39)43-4)32(20)48-23(29(41)45-6)24(49-32)30(42)46-7/h8-14H,1-7H3InChIKey
FWBUNLRNYWBATL-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)C(=O)C5=CC=C(C=C5)C(F)(F)F
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)c1ccc(cc1)C(F)(F)F)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC33H28F3NO9S3c1158131918(1415)2025(31(23)37(19)26(38)1691117(121016)33(3435)36)4722(28(40)445)21(27(39)434)32(20)4823(29(41)456)24(4932)30(42)467h814H17H3
MFCD01562217
STK003309
tetramethyl559trimethyl6((4(trifluoromethyl)phenyl)carbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl559trimethyl6(4(trifluoromethyl)benzoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl559trimethyl6(4(trifluoromethyl)benzoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150393318
ZINC150393318
Check stock
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Check stock on Vitas-MAvailable files
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