Vitas-M small molecule compound
(2E)-2-(3-bromo-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}benzylidene)hydrazinecarbothioamide
Catalog ID
STK076880
SMILES COc1cc(/C=N/NC(=S)N)cc(c1OCCOc1cc(C)ccc1C(C)C)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 C21H26BrN3O3S MW 480.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26BrN3O3S/c1-13(2)16-6-5-14(3)9-18(16)27-7-8-28-20-17(22)10-15(11-19(20)26-4)12-24-25-21(23)29/h5-6,9-13H,7-8H2,1-4H3,(H3,23,25,29)/b24-12+InChIKey
UBWHESPPSPUYGW-WYMPLXKRSA-NSynonyms
((E)(3bromo5methoxy4(2(5methyl2propan2ylphenoxy)ethoxy)phenyl)methylideneamino)thiourea
(2E)2(3BROMO5METHOXY4(2(5METHYL2(PROPAN2YL)PHENOXY)ETHOXY)BENZYLIDENE)HYDRAZINECARBOTHIOAMIDE
CC1=CC(=C(C=C1)C(C)C)OCCOC2=C(C=C(C=C2Br)C=NNC(=S)N)OC
COc1cc(C=NNC(=S)N)cc(c1OCCOc1cc(C)ccc1C(C)C)Br
InChI=1SC21H26BrN3O3Sc113(2)166514(3)918(16)2778282017(22)1015(1119(20)264)12242521(23)29h56913H78H214H3(H3232529)b2412+
MFCD02206610
STK076880
ZINC000013899430
ZINC83316156
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