Vitas-M small molecule compound

(5Z)-5-{2-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxybenzylidene}-3-ethyl-1-methyl-2-thioxoimidazolidin-4-one

Catalog ID
STL416497
SMILES CCN1C(=S)N(/C(=C\c2cc(OC)c(cc2Br)OCc2ccccc2Cl)/C1=O)C

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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 C21H20BrClN2O3S MW 495.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrClN2O3S/c1-4-25-20(26)17(24(2)21(25)29)9-14-10-18(27-3)19(11-15(14)22)28-12-13-7-5-6-8-16(13)23/h5-11H,4,12H2,1-3H3/b17-9-
InChIKey
VNDRMBBIPVJKOU-MFOYZWKCSA-N
Synonyms

(5Z)5((2BROMO4((2CHLOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLIDENE)3ETHYL1METHYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(2bromo4((2chlorobenzyl)oxy)5methoxybenzylidene)3ethyl1methyl2thioxoimidazolidin4one
CCN1C(=O)C(=CC2=CC(=C(C=C2Br)OCC3=CC=CC=C3Cl)OC)N(C1=S)C
CCN1C(=S)N(C(=Cc2cc(OC)c(cc2Br)OCc2ccccc2Cl)C1=O)C
InChI=1SC21H20BrClN2O3Sc142520(26)17(24(2)21(25)29)9141018(273)19(1115(14)22)281213756816(13)23h511H412H213H3b179
MFCD04084763
ZINC000016681431
ZINC16681431

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Available files

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