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Vitas-M small molecule compound

tetramethyl 5',5',9'-trimethyl-6'-[(3-nitrophenyl)carbonyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK325103
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)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 C32H28N2O11S3 MW 712.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O11S3/c1-15-11-12-19-18(13-15)20-25(31(2,3)33(19)26(35)16-9-8-10-17(14-16)34(40)41)46-22(28(37)43-5)21(27(36)42-4)32(20)47-23(29(38)44-6)24(48-32)30(39)45-7/h8-14H,1-7H3
InChIKey
HAYPNHRPZMXBMP-UHFFFAOYSA-N
Synonyms

CC1=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=CC(=CC=C5)(N+)(=O)(O)
COC(=O)C1=C(C(=O)OC)(C@)2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)c1cccc(c1)(N+)(=O)(O))SC(=C(S2)C(=O)OC)C(=O)OC
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)c1cccc(c1)(N+)(=O)(O))SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC32H28N2O11S3c11511121918(1315)2025(31(23)33(19)26(35)16981017(1416)34(40)41)4622(28(37)435)21(27(36)424)32(20)4723(29(38)446)24(4832)30(39)457h814H17H3
MFCD00658090
tetramethyl559trimethyl6((3nitrophenyl)carbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl559trimethyl6(3nitrobenzoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl559trimethyl6(3nitrobenzoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008386571
ZINC08386571
ZINC8386571

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Available files

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