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Vitas-M small molecule compound

tetramethyl 5',5',7'-trimethyl-6'-(2-oxo-2-phenylethyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK074086
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1C)CC(=O)c1ccccc1)SC(=C(S2)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 C33H31NO9S3 MW 681.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO9S3/c1-17-12-11-15-19-21-27(32(2,3)34(23(17)19)16-20(35)18-13-9-8-10-14-18)44-24(29(37)41-5)22(28(36)40-4)33(21)45-25(30(38)42-6)26(46-33)31(39)43-7/h8-15H,16H2,1-7H3
InChIKey
ZLJAWDZQZGVGEE-UHFFFAOYSA-N
Synonyms

CC1=CC=CC2=C1N(C(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C)CC(=O)C5=CC=CC=C5
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1C)CC(=O)c1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC33H31NO9S3c117121115192127(32(23)34(23(17)19)1620(35)181398101418)4424(29(37)415)22(28(36)404)33(21)4525(30(38)426)26(4633)31(39)437h815H16H217H3
MFCD00689672
STK074086
tetramethyl557trimethyl6(2oxo2phenylethyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl557trimethyl6(2oxo2phenylethyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl557trimethyl6phenacylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000033353556
ZINC33353556

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Available files

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

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