Vitas-M small molecule compound
3-butan-2-yl-1-(2-{6-[(E)-(hydroxyimino)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methylthiourea
Catalog ID
STL537811
SMILES O/N=C/c1c(CCN(C(=S)NC(CC)C)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 C17H25N3O4S MW 367.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25N3O4S/c1-5-11(2)19-17(25)20(3)7-6-12-8-14-16(24-10-23-14)15(22-4)13(12)9-18-21/h8-9,11,21H,5-7,10H2,1-4H3,(H,19,25)/b18-9+InChIKey
ZPWIBHPEJSDTOH-GIJQJNRQSA-NSynonyms
858762-05-7(E)3(secbutyl)1(2(6((hydroxyimino)methyl)7methoxybenzo(d)(13)dioxol5yl)ethyl)1methylthiourea
3butan2yl1(2(6((~(E))hydroxyiminomethyl)7methoxy13benzodioxol5yl)ethyl)1methylthiourea
3butan2yl1(2(6((E)(hydroxyimino)methyl)7methoxy13benzodioxol5yl)ethyl)1methylthiourea
858762057
9633365
InChI=1SC17H25N3O4Sc1511(2)1917(25)20(3)761281416(24102314)15(224)13(12)91821h891121H5710H214H3(H1925)b189+
MFCD04143600
ON=Cc1c(CCN(C(=S)NC(CC)C)C)cc2c(c1OC)OCO2
ZINC000100755428
ZINC000100755430
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