Vitas-M small molecule compound
(2E)-2-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-iodo-5-methoxybenzylidene}hydrazinecarbothioamide
Catalog ID
STK385853
SMILES COc1cc(/C=N/NC(=S)N)cc(c1OCCOc1ccc(cc1)C(C)(C)C)I
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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 C21H26IN3O3S MW 527.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26IN3O3S/c1-21(2,3)15-5-7-16(8-6-15)27-9-10-28-19-17(22)11-14(12-18(19)26-4)13-24-25-20(23)29/h5-8,11-13H,9-10H2,1-4H3,(H3,23,25,29)/b24-13+InChIKey
FMZKUXZBAPUFDU-ZMOGYAJESA-NSynonyms
((E)(4(2(4tertbutylphenoxy)ethoxy)3iodo5methoxyphenyl)methylideneamino)thiourea
(2E)2(4(2(4TERTBUTYLPHENOXY)ETHOXY)3IODO5METHOXYBENZYLIDENE)HYDRAZINECARBOTHIOAMIDE
CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2I)C=NNC(=S)N)OC
COc1cc(C=NNC(=S)N)cc(c1OCCOc1ccc(cc1)C(C)(C)C)I
InChI=1SC21H26IN3O3Sc121(23)155716(8615)27910281917(22)1114(1218(19)264)13242520(23)29h581113H910H214H3(H3232529)b2413+
MFCD03103141
ZINC000059222163
ZINC101895056
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