Vitas-M small molecule compound
ethyl (2Z)-2-[2-(4-bromophenyl)hydrazinylidene]-3-oxo-4-thiocyanatobutanoate
Catalog ID
STK370953
SMILES N#CSCC(=O)/C(=N/Nc1ccc(cc1)Br)/C(=O)OCC
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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 C13H12BrN3O3S MW 370.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrN3O3S/c1-2-20-13(19)12(11(18)7-21-8-15)17-16-10-5-3-9(14)4-6-10/h3-6,16H,2,7H2,1H3/b17-12-InChIKey
NVVGTAORJSUPDA-ATVHPVEESA-NSynonyms
2((4BROMOPHENYL)HYDRAZONO)3OXO4THIOCYANATOBUTYRICACIDETHYLESTER
CCOC(=O)C(=NNC1=CC=C(C=C1)Br)C(=O)CSC#N
ETHYL(2Z)2((4BROMOPHENYL)HYDRAZINYLIDENE)3OXO4THIOCYANATOBUTANOATE
ethyl(2Z)2(2(4bromophenyl)hydrazinylidene)3oxo4thiocyanatobutanoate
ETHYL(2Z)3((4BROMOPHENYL)AMINO)2(2CYANOTHIOACETYL)3AZAPROP2ENOATE
InChI=1SC13H12BrN3O3Sc122013(19)12(11(18)721815)171610539(14)4610h3616H27H21H3b1712
MFCD00194849
N#CSCC(=O)C(=NNc1ccc(cc1)Br)C(=O)OCC
ZINC000013303271
ZINC102109191
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