Vitas-M small molecule compound

tetramethyl 6'-acryloyl-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK091131
SMILES C=CC(=O)N1c2ccc(cc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)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 C28H27NO9S3 MW 617.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO9S3/c1-9-16(30)29-15-11-10-13(2)12-14(15)17-22(27(29,3)4)39-19(24(32)36-6)18(23(31)35-5)28(17)40-20(25(33)37-7)21(41-28)26(34)38-8/h9-12H,1H2,2-8H3
InChIKey
ZTIADBKQHQNOBP-UHFFFAOYSA-N
Synonyms

C=CC(=O)N1c2ccc(cc2C2=C(C1(C)C)SC(=C(C12SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
CC1=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)C=C
InChI=1SC28H27NO9S3c1916(30)2915111013(2)1214(15)1722(27(293)4)3919(24(32)366)18(23(31)355)28(17)4020(25(33)377)21(4128)26(34)388h912H1H228H3
MFCD01138011
STK091131
tetramethyl559trimethyl6prop2enoylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6acryloyl559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6acryloyl559trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098048824
ZINC98048824

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.