Vitas-M small molecule compound
tetramethyl 9'-ethoxy-5',5'-dimethyl-6'-[(2-methyl-3-nitrophenyl)carbonyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK038889
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2cccc(c2C)[N+](=O)[O-])(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 C34H32N2O12S3 MW 756.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O12S3/c1-9-48-17-13-14-21-19(15-17)22-27(33(3,4)35(21)28(37)18-11-10-12-20(16(18)2)36(42)43)49-24(30(39)45-6)23(29(38)44-5)34(22)50-25(31(40)46-7)26(51-34)32(41)47-8/h10-15H,9H2,1-8H3InChIKey
DEFGWJVUFCCHPW-UHFFFAOYSA-NSynonyms
CCOC1=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)C5=C(C(=CC=C5)(N+)(=O)(O))C
CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2cccc(c2C)(N+)(=O)(O))(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC34H32N2O12S3c19481713142119(1517)2227(33(34)35(21)28(37)1811101220(16(18)2)36(42)43)4924(30(39)456)23(29(38)445)34(22)5025(31(40)467)26(5134)32(41)478h1015H9H218H3
MFCD02817130
STK038889
tetramethyl9ethoxy55dimethyl6((2methyl3nitrophenyl)carbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6(2methyl3nitrobenzoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9ethoxy55dimethyl6(2methyl3nitrobenzoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150441315
ZINC150441315
Check stock
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Check stock on Vitas-MAvailable files
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