Vitas-M small molecule compound

tetramethyl 9'-ethoxy-5',5'-dimethyl-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
STK005047
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccc(cc2)C(F)(F)F)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)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 C34H30F3NO10S3 MW 765.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30F3NO10S3/c1-8-48-18-13-14-20-19(15-18)21-26(32(2,3)38(20)27(39)16-9-11-17(12-10-16)34(35,36)37)49-23(29(41)45-5)22(28(40)44-4)33(21)50-24(30(42)46-6)25(51-33)31(43)47-7/h9-15H,8H2,1-7H3
InChIKey
BRIBRNNTDVVGFH-UHFFFAOYSA-N
Synonyms

CCOC1=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
CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccc(cc2)C(F)(F)F)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC34H30F3NO10S3c18481813142019(1518)2126(32(23)38(20)27(39)1691117(121016)34(3536)37)4923(29(41)455)22(28(40)444)33(21)5024(30(42)466)25(5133)31(43)477h915H8H217H3
MFCD01560371
STK005047
tetramethyl9ethoxy55dimethyl6((4(trifluoromethyl)phenyl)carbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6(4(trifluoromethyl)benzoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6(4(trifluoromethyl)benzoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150441294
ZINC150441294

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Available files

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