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Vitas-M small molecule compound

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

Catalog ID
STK061536
SMILES CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)c1ccc(cc1)[N+](=O)[O-])SC(=C(S2)C(=O)OCC)C(=O)OCC

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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 C36H36N2O11S3 MW 768.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N2O11S3/c1-8-46-31(40)25-26(32(41)47-9-2)50-29-24(36(25)51-27(33(42)48-10-3)28(52-36)34(43)49-11-4)22-18-19(5)12-17-23(22)37(35(29,6)7)30(39)20-13-15-21(16-14-20)38(44)45/h12-18H,8-11H2,1-7H3
InChIKey
HZIOTHJOVLHPPG-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)c1ccc(cc1)(N+)(=O)(O))SC(=C(S2)C(=O)OCC)C(=O)OCC
CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=CC(=C4)C)N(C2(C)C)C(=O)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)OCC
InChI=1SC36H36N2O11S3c184631(40)2526(32(41)4792)502924(36(25)5127(33(42)48103)28(5236)34(43)49114)221819(5)121723(22)37(35(296)7)30(39)20131521(161420)38(44)45h1218H811H217H3
MFCD01363310
STK061536
tetraethyl559trimethyl6((4nitrophenyl)carbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl559trimethyl6(4nitrobenzoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl559trimethyl6(4nitrobenzoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150360890
ZINC150360890

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Available files

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