Vitas-M small molecule compound
(2E)-2-{3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}hydrazinecarbothioamide
Catalog ID
STK048230
SMILES CCOc1cc(/C=N/NC(=S)N)ccc1OCCOc1cc(C)cc(c1)CC
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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 C21H27N3O3S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S/c1-4-16-10-15(3)11-18(12-16)26-8-9-27-19-7-6-17(13-20(19)25-5-2)14-23-24-21(22)28/h6-7,10-14H,4-5,8-9H2,1-3H3,(H3,22,24,28)/b23-14+InChIKey
RRGMXCQRYWAFNG-OEAKJJBVSA-NSynonyms
((E)(3ethoxy4(2(3ethyl5methylphenoxy)ethoxy)phenyl)methylideneamino)thiourea
(2E)2(3ETHOXY4(2(3ETHYL5METHYLPHENOXY)ETHOXY)BENZYLIDENE)HYDRAZINECARBOTHIOAMIDE
CCC1=CC(=CC(=C1)C)OCCOC2=C(C=C(C=C2)C=NNC(=S)N)OCC
CCOc1cc(C=NNC(=S)N)ccc1OCCOc1cc(C)cc(c1)CC
InChI=1SC21H27N3O3Sc14161015(3)1118(1216)268927197617(1320(19)2552)14232421(22)28h671014H4589H213H3(H3222428)b2314+
MFCD02126172
STK048230
ZINC000005954338
ZINC35088135
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