Vitas-M small molecule compound
1-(2-{6-[(E)-(hydroxyimino)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methyl-3-(2-phenylethyl)thiourea
Catalog ID
STL522447
SMILES O/N=C/c1c(CCN(C(=S)NCCc2ccccc2)C)cc2c(c1OC)OCO2
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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 C21H25N3O4S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4S/c1-24(21(29)22-10-8-15-6-4-3-5-7-15)11-9-16-12-18-20(28-14-27-18)19(26-2)17(16)13-23-25/h3-7,12-13,25H,8-11,14H2,1-2H3,(H,22,29)/b23-13+InChIKey
JZCMZHHYMOUSSK-YDZHTSKRSA-NSynonyms
859110-82-0(E)1(2(6((hydroxyimino)methyl)7methoxybenzo(d)(13)dioxol5yl)ethyl)1methyl3phenethylthiourea
1(2(6((~(E))hydroxyiminomethyl)7methoxy13benzodioxol5yl)ethyl)1methyl3(2phenylethyl)thiourea
1(2(6((E)(hydroxyimino)methyl)7methoxy13benzodioxol5yl)ethyl)1methyl3(2phenylethyl)thiourea
1(2(6((E)HYDROXYIMINOMETHYL)7METHOXY13BENZODIOXOL5YL)ETHYL)1METHYL3PHENETHYLTHIOUREA
6876198
859110820
InChI=1SC21H25N3O4Sc124(21(29)22108156435715)11916121820(28142718)19(262)17(16)132325h37121325H81114H212H3(H2229)b2313+
MFCD05675129
ON=Cc1c(CCN(C(=S)NCCc2ccccc2)C)cc2c(c1OC)OCO2
ZINC000100765424
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