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Vitas-M small molecule compound

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

Catalog ID
STK069351
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)Nc1ccccc1)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 C32H30N2O9S3 MW 682.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O9S3/c1-16-13-14-19-18(15-16)20-25(31(2,3)34(19)30(39)33-17-11-9-8-10-12-17)44-22(27(36)41-5)21(26(35)40-4)32(20)45-23(28(37)42-6)24(46-32)29(38)43-7/h8-15H,1-7H3,(H,33,39)
InChIKey
VCOWSYNBJMYMGQ-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)NC5=CC=CC=C5
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)Nc1ccccc1)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC32H30N2O9S3c11613141918(1516)2025(31(23)34(19)30(39)33171198101217)4422(27(36)415)21(26(35)404)32(20)4523(28(37)426)24(4632)29(38)437h815H17H3(H3339)
MFCD03190518
STK069351
tetramethyl559trimethyl6(phenylcarbamoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl559trimethyl6(phenylcarbamoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl559trimethyl6(phenylcarbamoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150392798
ZINC150392798

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Available files

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