Vitas-M small molecule compound

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

Catalog ID
STK027201
SMILES CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)(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 C33H29ClN2O12S3 MW 777.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29ClN2O12S3/c1-8-48-16-10-12-19-17(14-16)21-26(32(2,3)35(19)27(37)15-9-11-18(34)20(13-15)36(42)43)49-23(29(39)45-5)22(28(38)44-4)33(21)50-24(30(40)46-6)25(51-33)31(41)47-7/h9-14H,8H2,1-7H3
InChIKey
BSJZLRZFQMTKGN-UHFFFAOYSA-N
Synonyms

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=CC(=C(C=C5)Cl)(N+)(=O)(O)
CCOc1ccc2c(c1)C1=C(C(N2C(=O)c2ccc(c(c2)(N+)(=O)(O))Cl)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC33H29ClN2O12S3c18481610121917(1416)2126(32(23)35(19)27(37)1591118(34)20(1315)36(42)43)4923(29(39)455)22(28(38)444)33(21)5024(30(40)466)25(5133)31(41)477h914H8H217H3
MFCD01156250
STK027201
tetramethyl6((4chloro3nitrophenyl)carbonyl)9ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4chloro3nitrobenzoyl)9ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6(4chloro3nitrobenzoyl)9ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150360274
ZINC150360274

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Available files

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