Vitas-M small molecule compound

3-{[(E)-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK698738
SMILES COc1cc(/C=N/n2cnc3c(c2=O)c2CCCCc2s3)cc(c1OCc1ccc(cc1Cl)Cl)Br

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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 C25H20BrCl2N3O3S MW 593.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrCl2N3O3S/c1-33-20-9-14(8-18(26)23(20)34-12-15-6-7-16(27)10-19(15)28)11-30-31-13-29-24-22(25(31)32)17-4-2-3-5-21(17)35-24/h6-11,13H,2-5,12H2,1H3/b30-11+
InChIKey
BBTOXZCAUAQTPZ-KNBZMSCYSA-N
Synonyms

(E)3((3bromo4((24dichlorobenzyl)oxy)5methoxybenzylidene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(3bromo4((24dichlorobenzyl)oxy)5methoxyphenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(3bromo4((24dichlorophenyl)methoxy)5methoxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
COC1=C(C(=CC(=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)Br)OCC5=C(C=C(C=C5)Cl)Cl
COc1cc(C=Nn2cnc3c(c2=O)c2CCCCc2s3)cc(c1OCc1ccc(cc1Cl)Cl)Br
InChI=1SC25H20BrCl2N3O3Sc13320914(818(26)23(20)3412156716(27)1019(15)28)11303113292422(25(31)32)17423521(17)3524h61113H2512H21H3b3011+
MFCD01133435
ZINC000001852524
ZINC01852521
ZINC1852521

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Available files

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