Vitas-M small molecule compound
tetramethyl 6'-[(2,5-dioxopyrrolidin-1-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
STK027185
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)CN2C(=O)CCC2=O)(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 C32H32N2O12S3 MW 732.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O12S3/c1-8-46-15-9-10-17-16(13-15)21-26(31(2,3)34(17)20(37)14-33-18(35)11-12-19(33)36)47-23(28(39)43-5)22(27(38)42-4)32(21)48-24(29(40)44-6)25(49-32)30(41)45-7/h9-10,13H,8,11-12,14H2,1-7H3InChIKey
DEGRPBNRVFTIQJ-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)CCC5=O
CCOc1ccc2c(c1)C1=C(C(N2C(=O)CN2C(=O)CCC2=O)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC32H32N2O12S3c1846159101716(1315)2126(31(23)34(17)20(37)143318(35)111219(33)36)4723(28(39)435)22(27(38)424)32(21)4824(29(40)446)25(4932)30(41)457h91013H8111214H217H3
MFCD01068168
STK027185
tetramethyl6((25dioxopyrrolidin1yl)acetyl)9ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(25dioxopyrrolidin1yl)acetyl)9ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2(25dioxopyrrolidin1yl)acetyl)9ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150363283
ZINC150363283
Check stock
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Check stock on Vitas-MAvailable files
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