Vitas-M small molecule compound

methyl (2E)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-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
STL175969
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(c(c2)COc2c(Cl)cc(cc2Cl)Cl)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 C30H23Cl3N2O6S MW 645.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23Cl3N2O6S/c1-30-24(28(37)39-3)25(18-6-4-5-7-22(18)41-30)35-27(36)23(42-29(35)34-30)11-15-8-9-21(38-2)16(10-15)14-40-26-19(32)12-17(31)13-20(26)33/h4-13,24-25H,14H2,1-3H3/b23-11+
InChIKey
TUIYLHWYNGWNKU-FOKLQQMPSA-N
Synonyms
1024737-79-8
1024737798
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC(=C(C=C5)OC)COC6=C(C=C(C=C6Cl)Cl)Cl)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(c(c2)COc2c(Cl)cc(cc2Cl)Cl)OC)s1
InChI=1SC30H23Cl3N2O6Sc13024(28(37)393)25(18645722(18)4130)3527(36)23(4229(35)3430)11158921(382)16(1015)14402619(32)1217(31)1320(26)33h4132425H14H213H3b2311+
methyl(2E)2(4methoxy3((246trichlorophenoxy)methyl)benzylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD03467022
ZINC000150461938
ZINC000150461946

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Available files

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