Vitas-M small molecule compound
tetramethyl 5',5'-dimethyl-6'-(trifluoroacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK789185
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)C(F)(F)F)SC(=C(S2)C(=O)OC)C(=O)OC
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H22F3NO9S3 MW 645.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22F3NO9S3/c1-24(2)18-13(11-9-7-8-10-12(11)30(24)23(35)26(27,28)29)25(14(19(31)36-3)15(40-18)20(32)37-4)41-16(21(33)38-5)17(42-25)22(34)39-6/h7-10H,1-6H3InChIKey
XVOFIUONZSHVGN-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=CC=CC=C3N1C(=O)C(F)(F)F)C4(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)C
InChI=1SC26H22F3NO9S3c124(2)1813(119781012(11)30(24)23(35)26(2728)29)25(14(19(31)363)15(4018)20(32)374)4116(21(33)385)17(4225)22(34)396h710H16H3
MFCD00689685
tetramethyl55dimethyl6(222trifluoroacetyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(222trifluoroacetyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(trifluoroacetyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008387362
ZINC08387362
ZINC8387362
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