Vitas-M small molecule compound

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

Catalog ID
STK059151
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)OC)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 C32H28FNO10S3 MW 701.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28FNO10S3/c1-31(2)25-20(18-13-12-17(40-3)14-19(18)34(31)26(35)15-8-10-16(33)11-9-15)32(21(27(36)41-4)22(45-25)28(37)42-5)46-23(29(38)43-6)24(47-32)30(39)44-7/h8-14H,1-7H3
InChIKey
GQYHMLGDNJJFLH-UHFFFAOYSA-N
Synonyms

CC1(C2=C(C3=C(N1C(=O)C4=CC=C(C=C4)F)C=C(C=C3)OC)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)(C@)2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)OC)C(=O)c1ccc(cc1)F)SC(=C(S2)C(=O)OC)C(=O)OC
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)OC)C(=O)c1ccc(cc1)F)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC32H28FNO10S3c131(2)2520(18131217(403)1419(18)34(31)26(35)1581016(33)11915)32(21(27(36)414)22(4525)28(37)425)4623(29(38)436)24(4732)30(39)447h814H17H3
MFCD00658074
STK059151
tetramethyl6((4fluorophenyl)carbonyl)8methoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4fluorobenzoyl)8methoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4fluorobenzoyl)8methoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008434787
ZINC08434787
ZINC8434787

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Available files

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