Vitas-M small molecule compound

(4Z)-6-[2-(ethylsulfanyl)propyl]-N-hydroxy-3-methyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine

Catalog ID
STK805578
SMILES CCSC(CC1C/C(=N/O)/c2c(C1)onc2C)C

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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 C13H20N2O2S MW 268.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N2O2S/c1-4-18-8(2)5-10-6-11(14-16)13-9(3)15-17-12(13)7-10/h8,10,16H,4-7H2,1-3H3/b14-11-
InChIKey
WSPHPYGXDDGWJW-KAMYIIQDSA-N
Synonyms
331966-00-8
(4Z)6(2(ethylsulfanyl)propyl)Nhydroxy3methyl67dihydro12benzoxazol4(5H)imine
(NZ)N(6(2ETHYLSULFANYLPROPYL)3METHYL67DIHYDRO5H12BENZOXAZOL4YLIDENE)HYDROXYLAMINE
(Z)6(2(ethylthio)propyl)3methyl67dihydrobenzo(d)isoxazol4(5H)oneoxime
331966008
6(2ETHYLSULFANYLPROPYL)3METHYL67DIHYDRO5HBENZO(D)ISOXAZOL4ONEOXIME
6(2ETHYLTHIOPROPYL)4(HYDROXYIMINO)3METHYL567TRIHYDROBENZO(21D)ISOXAZOLE
CCSC(C)CC1CC2=C(C(=NO2)C)C(=NO)C1
CCSC(CC1CC(=NO)c2c(C1)onc2C)C
InChI=1SC13H20N2O2Sc14188(2)510611(1416)139(3)151712(13)710h81016H47H213H3b1411
MFCD01105966
ZINC000013154771
ZINC000100523680

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.