Vitas-M small molecule compound

methyl (2E)-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate

Catalog ID
STL176600
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(c(c2)COc2ccc(cc2)I)OC)/s1

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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 C30H25IN2O6S MW 668.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25IN2O6S/c1-30-25(28(35)37-3)26(21-6-4-5-7-23(21)39-30)33-27(34)24(40-29(33)32-30)15-17-8-13-22(36-2)18(14-17)16-38-20-11-9-19(31)10-12-20/h4-15,25-26H,16H2,1-3H3/b24-15+
InChIKey
MIRLWYHSXULZGA-BUVRLJJBSA-N
Synonyms
1025241-97-7
1025241977
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC(=C(C=C5)OC)COC6=CC=C(C=C6)I)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(c(c2)COc2ccc(cc2)I)OC)s1
InChI=1SC30H25IN2O6Sc13025(28(35)373)26(21645723(21)3930)3327(34)24(4029(33)3230)151781322(362)18(1417)16382011919(31)101220h4152526H16H213H3b2415+
methyl(2E)2(3((4iodophenoxy)methyl)4methoxybenzylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD04049705
ZINC000150393760
ZINC000150393770

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Available files

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