Vitas-M small molecule compound
tetramethyl 6'-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK008620
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)Cn2c(=O)c3cccc4c3c(c2=O)ccc4)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)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 C40H34N2O12S3 MW 830.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H34N2O12S3/c1-8-54-20-15-16-24-23(17-20)27-32(39(2,3)42(24)25(43)18-41-33(44)21-13-9-11-19-12-10-14-22(26(19)21)34(41)45)55-29(36(47)51-5)28(35(46)50-4)40(27)56-30(37(48)52-6)31(57-40)38(49)53-7/h9-17H,8,18H2,1-7H3InChIKey
MNNAGAQHZWWSCF-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N(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
CCOc1ccc2c(c1)C1=C(C(N2C(=O)Cn2c(=O)c3cccc4c3c(c2=O)ccc4)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC40H34N2O12S3c18542015162423(1720)2732(39(23)42(24)25(43)184133(44)21139111912101422(26(19)21)34(41)45)5529(36(47)515)28(35(46)504)40(27)5630(37(48)526)31(5740)38(49)537h917H818H217H3
MFCD01137995
STK008620
tetramethyl6((13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)9ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)9ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxobenzo(de)isoquinolin2yl)acetyl)9ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150363371
ZINC150363371
Check stock
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