Vitas-M small molecule compound

tetramethyl 6'-[(4-fluorophenyl)carbonyl]-5',5',8'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STL024470
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)C)C(=O)c1ccc(cc1)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 C32H28FNO9S3 MW 685.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28FNO9S3/c1-15-8-13-18-19(14-15)34(26(35)16-9-11-17(33)12-10-16)31(2,3)25-20(18)32(21(27(36)40-4)22(44-25)28(37)41-5)45-23(29(38)42-6)24(46-32)30(39)43-7/h8-14H,1-7H3
InChIKey
JTOKWBWOSBEBKT-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C4=CC=C(C=C4)F)(C)C)SC(=C(C35SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC32H28FNO9S3c1158131819(1415)34(26(35)1691117(33)121016)31(23)2520(18)32(21(27(36)404)22(4425)28(37)415)4523(29(38)426)24(4632)30(39)437h814H17H3
MFCD00521234
tetramethyl6((4fluorophenyl)carbonyl)558trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4fluorobenzoyl)558trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4fluorobenzoyl)558trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150386556
ZINC150386556

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Available files

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