Vitas-M small molecule compound

tetramethyl 9'-methoxy-5',5'-dimethyl-6'-(2-methylpropanoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK098868
SMILES COc1ccc2c(c1)C1=C(C(N2C(=O)C(C)C)(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 C29H31NO10S3 MW 649.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO10S3/c1-13(2)23(31)30-16-11-10-14(36-5)12-15(16)17-22(28(30,3)4)41-19(25(33)38-7)18(24(32)37-6)29(17)42-20(26(34)39-8)21(43-29)27(35)40-9/h10-13H,1-9H3
InChIKey
LPRMMYARTDHXGA-UHFFFAOYSA-N
Synonyms

CC(C)C(=O)N1C2=C(C=C(C=C2)OC)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
COc1ccc2c(c1)C1=C(C(N2C(=O)C(C)C)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC29H31NO10S3c113(2)23(31)3016111014(365)1215(16)1722(28(303)4)4119(25(33)387)18(24(32)376)29(17)4220(26(34)398)21(4329)27(35)409h1013H19H3
MFCD01565445
STK098868
tetramethyl6isobutyryl9methoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6(2methylpropanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6(2methylpropanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150392730
ZINC150392730

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Available files

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