Vitas-M small molecule compound
tetramethyl 6'-[(4-fluorophenyl)carbonyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK395072
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)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 C31H26FNO9S3 MW 671.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26FNO9S3/c1-30(2)24-19(17-9-7-8-10-18(17)33(30)25(34)15-11-13-16(32)14-12-15)31(20(26(35)39-3)21(43-24)27(36)40-4)44-22(28(37)41-5)23(45-31)29(38)42-6/h7-14H,1-6H3InChIKey
RIJDZWPNRUSRFR-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC=C(C=C4)F)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
InChI=1SC31H26FNO9S3c130(2)2419(179781018(17)33(30)25(34)15111316(32)141215)31(20(26(35)393)21(4324)27(36)404)4422(28(37)415)23(4531)29(38)426h714H16H3
MFCD00630836
tetramethyl6((4fluorophenyl)carbonyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4fluorobenzoyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4fluorobenzoyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000004065109
ZINC04065109
ZINC4065109
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