Vitas-M small molecule compound

tetramethyl 6'-[(1,3-dioxooctahydro-2H-isoindol-2-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
STK020352
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)CN2C(=O)C3C(C2=O)CCCC3)(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 C36H38N2O12S3 MW 786.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38N2O12S3/c1-8-50-17-13-14-21-20(15-17)23-28(35(2,3)38(21)22(39)16-37-29(40)18-11-9-10-12-19(18)30(37)41)51-25(32(43)47-5)24(31(42)46-4)36(23)52-26(33(44)48-6)27(53-36)34(45)49-7/h13-15,18-19H,8-12,16H2,1-7H3
InChIKey
HYRVDRBDVZVUEF-UHFFFAOYSA-N
Synonyms
351498-76-5
351498765
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)C6CCCCC6C5=O
CCOc1ccc2c(c1)C1=C(C(N2C(=O)CN2C(=O)C3C(C2=O)CCCC3)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC36H38N2O12S3c18501713142120(1517)2328(35(23)38(21)22(39)163729(40)18119101219(18)30(37)41)5125(32(43)475)24(31(42)464)36(23)5226(33(44)486)27(5336)34(45)497h13151819H81216H217H3
MFCD01363282
STK020352
tetramethyl6((13dioxooctahydro2Hisoindol2yl)acetyl)9ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(13dioxo3a45677ahexahydroisoindol2yl)acetyl)9ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150360883
ZINC000150360887

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Available files

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