Vitas-M small molecule compound
tetramethyl 9'-methoxy-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
STK009347
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)c1cccc(c1)[N+](=O)[O-])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 C32H28N2O12S3 MW 728.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O12S3/c1-31(2)25-20(18-14-17(42-3)11-12-19(18)33(31)26(35)15-9-8-10-16(13-15)34(40)41)32(21(27(36)43-4)22(47-25)28(37)44-5)48-23(29(38)45-6)24(49-32)30(39)46-7/h8-14H,1-7H3InChIKey
FWSXBCFADQGYSZ-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=C(N1C(=O)C4=CC(=CC=C4)(N+)(=O)(O))C=CC(=C3)OC)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)c1cccc(c1)(N+)(=O)(O))SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC32H28N2O12S3c131(2)2520(181417(423)111219(18)33(31)26(35)15981016(1315)34(40)41)32(21(27(36)434)22(4725)28(37)445)4823(29(38)456)24(4932)30(39)467h814H17H3
MFCD01950536
STK009347
tetramethyl9methoxy55dimethyl6((3nitrophenyl)carbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6(3nitrobenzoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl9methoxy55dimethyl6(3nitrobenzoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150392946
ZINC150392946
Check stock
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Check stock on Vitas-MAvailable files
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