Vitas-M small molecule compound

(2Z)-2-{3-chloro-4-[3-(2,5-dimethylphenoxy)propoxy]-5-methoxybenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

Catalog ID
STK727497
SMILES COc1cc(cc(c1OCCCOc1cc(C)ccc1C)Cl)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

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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 C28H25ClN2O4S MW 521.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O4S/c1-17-9-10-18(2)23(13-17)34-11-6-12-35-26-20(29)14-19(15-24(26)33-3)16-25-27(32)31-22-8-5-4-7-21(22)30-28(31)36-25/h4-5,7-10,13-16H,6,11-12H2,1-3H3/b25-16-
InChIKey
WLQSVJWVRVLVQF-XYGWBWBKSA-N
Synonyms
531543-66-5
(2Z)2((3CHLORO4(3(25DIMETHYLPHENOXY)PROPOXY)5METHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2(3chloro4(3(25dimethylphenoxy)propoxy)5methoxybenzylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(Z)2(3chloro4(3(25dimethylphenoxy)propoxy)5methoxybenzylidene)benzo(45)imidazo(21b)thiazol3(2H)one
531543665
CC1=CC(=C(C=C1)C)OCCCOC2=C(C=C(C=C2Cl)C=C3C(=O)N4C5=CC=CC=C5N=C4S3)OC
COc1cc(cc(c1OCCCOc1cc(C)ccc1C)Cl)C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC28H25ClN2O4Sc11791018(2)23(1317)3411612352620(29)1419(1524(26)333)162527(32)3122854721(22)3028(31)3625h457101316H61112H213H3b2516
MFCD03567343
ZINC000009462568
ZINC09462568
ZINC9462568

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.