Vitas-M small molecule compound
tetramethyl 6'-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK046542
SMILES CCOc1cccc2c1N(C(=O)Cn1c(=O)c3cccc4c3c(c1=O)ccc4)C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C
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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 C40H34N2O12S3 MW 830.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H34N2O12S3/c1-8-54-23-17-11-16-22-26-32(55-29(36(47)51-5)27(35(46)50-4)40(26)56-30(37(48)52-6)31(57-40)38(49)53-7)39(2,3)42(28(22)23)24(43)18-41-33(44)20-14-9-12-19-13-10-15-21(25(19)20)34(41)45/h9-17H,8,18H2,1-7H3InChIKey
DXRWGSVGBHUDLC-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC2=C1N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)C(=O)CN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O
CCOc1cccc2c1N(C(=O)Cn1c(=O)c3cccc4c3c(c1=O)ccc4)C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C
InChI=1SC40H34N2O12S3c185423171116222632(5529(36(47)515)27(35(46)504)40(26)5630(37(48)526)31(5740)38(49)537)39(23)42(28(22)23)24(43)184133(44)20149121913101521(25(19)20)34(41)45h917H818H217H3
MFCD01138000
STK046542
tetramethyl6((13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)7ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)7ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxobenzo(de)isoquinolin2yl)acetyl)7ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008425556
ZINC08425556
ZINC8425556
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