Vitas-M small molecule compound
tetramethyl 5',5'-dimethyl-6'-(naphthalen-2-ylcarbonyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK789016
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)c1ccc3c(c1)cccc3)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 C35H29NO9S3 MW 703.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29NO9S3/c1-34(2)28-23(21-13-9-10-14-22(21)36(34)29(37)20-16-15-18-11-7-8-12-19(18)17-20)35(24(30(38)42-3)25(46-28)31(39)43-4)47-26(32(40)44-5)27(48-35)33(41)45-6/h7-17H,1-6H3InChIKey
WRKJWWFMKQHLIQ-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC5=CC=CC=C5C=C4)C6(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S6)C(=O)OC)C(=O)OC)C
InChI=1SC35H29NO9S3c134(2)2823(21139101422(21)36(34)29(37)2016151811781219(18)1720)35(24(30(38)423)25(4628)31(39)434)4726(32(40)445)27(4835)33(41)456h717H16H3
MFCD00643409
tetramethyl55dimethyl6(naphthalen2ylcarbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl55dimethyl6(naphthalene2carbonyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(2naphthoyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000096022794
ZINC96022794
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