Vitas-M small molecule compound
tetramethyl 5',5'-dimethyl-6'-(naphthalen-1-ylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK789350
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)Cc1cccc3c1cccc3)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 C36H31NO9S3 MW 717.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31NO9S3/c1-35(2)30-25(22-16-9-10-17-23(22)37(35)24(38)18-20-14-11-13-19-12-7-8-15-21(19)20)36(26(31(39)43-3)27(47-30)32(40)44-4)48-28(33(41)45-5)29(49-36)34(42)46-6/h7-17H,18H2,1-6H3InChIKey
UBNDPVKJDPWZOF-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=CC=CC=C3N1C(=O)CC4=CC=CC5=CC=CC=C54)C6(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S6)C(=O)OC)C(=O)OC)C
InChI=1SC36H31NO9S3c135(2)3025(22169101723(22)37(35)24(38)18201411131912781521(19)20)36(26(31(39)433)27(4730)32(40)444)4828(33(41)455)29(4936)34(42)466h717H18H216H3
MFCD01137933
tetramethyl55dimethyl6(2(naphthalen1yl)acetyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(2naphthalen1ylacetyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(naphthalen1ylacetyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008425554
ZINC08425554
ZINC8425554
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