Vitas-M small molecule compound
tetramethyl 7'-ethoxy-5',5'-dimethyl-6'-[(3-nitrophenyl)carbonyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK789167
SMILES CCOc1cccc2c1N(C(=O)c1cccc(c1)[N+](=O)[O-])C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C
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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 C33H30N2O12S3 MW 742.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O12S3/c1-8-47-19-14-10-13-18-20-26(32(2,3)34(22(18)19)27(36)16-11-9-12-17(15-16)35(41)42)48-23(29(38)44-5)21(28(37)43-4)33(20)49-24(30(39)45-6)25(50-33)31(40)46-7/h9-15H,8H2,1-7H3InChIKey
PQHMBDWINPFGLD-UHFFFAOYSA-NSynonyms
CCOC1=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)C(=O)C5=CC(=CC=C5)(N+)(=O)(O)
CCOc1cccc2c1N(C(=O)c1cccc(c1)(N+)(=O)(O))C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C
InChI=1SC33H30N2O12S3c184719141013182026(32(23)34(22(18)19)27(36)161191217(1516)35(41)42)4823(29(38)445)21(28(37)434)33(20)4924(30(39)456)25(5033)31(40)467h915H8H217H3
MFCD00621811
tetramethyl7ethoxy55dimethyl6((3nitrophenyl)carbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl7ethoxy55dimethyl6(3nitrobenzoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl7ethoxy55dimethyl6(3nitrobenzoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150472970
ZINC150472970
Check stock
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Check stock on Vitas-MAvailable files
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