Vitas-M small molecule compound
(2E)-2-{3-[(1,3-benzodioxol-5-yloxy)methyl]-4-methoxybenzylidene}hydrazinecarbothioamide
Catalog ID
STK205673
SMILES COc1ccc(cc1COc1ccc2c(c1)OCO2)/C=N/NC(=S)N
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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 C17H17N3O4S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4S/c1-21-14-4-2-11(8-19-20-17(18)25)6-12(14)9-22-13-3-5-15-16(7-13)24-10-23-15/h2-8H,9-10H2,1H3,(H3,18,20,25)/b19-8+InChIKey
MBCOMZLSBBZRSD-UFWORHAWSA-NSynonyms
((E)(3(13benzodioxol5yloxymethyl)4methoxyphenyl)methylideneamino)thiourea
(2E)2(3((13BENZODIOXOL5YLOXY)METHYL)4METHOXYBENZYLIDENE)HYDRAZINECARBOTHIOAMIDE
COC1=C(C=C(C=C1)C=NNC(=S)N)COC2=CC3=C(C=C2)OCO3
COc1ccc(cc1COc1ccc2c(c1)OCO2)C=NNC(=S)N
InChI=1SC17H17N3O4Sc121144211(8192017(18)25)612(14)92213351516(713)24102315h28H910H21H3(H3182025)b198+
MFCD06666730
ZINC000004740876
ZINC32476171
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