Vitas-M small molecule compound

tetramethyl 5',5',8',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK029663
SMILES COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)c(cc2NC1(C)C)C)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 C26H27NO8S3 MW 577.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO8S3/c1-11-9-13-14(10-12(11)2)27-25(3,4)20-15(13)26(16(21(28)32-5)17(36-20)22(29)33-6)37-18(23(30)34-7)19(38-26)24(31)35-8/h9-10,27H,1-8H3
InChIKey
VNDAWGNPFXEAFA-UHFFFAOYSA-N
Synonyms
331761-20-7
331761207
CC1=C(C=C2C(=C1)C3=C(C(N2)(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)c(cc2NC1(C)C)C)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC26H27NO8S3c11191314(1012(11)2)2725(34)2015(13)26(16(21(28)325)17(3620)22(29)336)3718(23(30)347)19(3826)24(31)358h91027H18H3
MFCD01036904
STK029663
tetramethyl5589tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl5589tetramethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl5589tetramethylspiro(13dithiole216Hthiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000006194681
ZINC06194681
ZINC6194681

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Available files

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