Vitas-M small molecule compound
N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-tert-butyl-1H-pyrazole-5-carbohydrazide
Catalog ID
STL360733
SMILES Brc1cc2OCOc2cc1/C=N/NC(=O)c1[nH]nc(c1)C(C)(C)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 C16H17BrN4O3 MW 393.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN4O3/c1-16(2,3)14-6-11(19-20-14)15(22)21-18-7-9-4-12-13(5-10(9)17)24-8-23-12/h4-7H,8H2,1-3H3,(H,19,20)(H,21,22)/b18-7+InChIKey
KSWUDVHEPISKKX-CNHKJKLMSA-NSynonyms
(E)N((6bromobenzo(d)(13)dioxol5yl)methylene)3(tertbutyl)1Hpyrazole5carbohydrazide
Brc1cc2OCOc2cc1C=NNC(=O)c1(nH)nc(c1)C(C)(C)C
CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3
InChI=1SC16H17BrN4O3c116(23)14611(192014)15(22)21187941213(510(9)17)2482312h47H8H213H3(H1920)(H2122)b187+
MFCD02239437
N((E)(6bromo13benzodioxol5yl)methylidene)3tertbutyl1Hpyrazole5carbohydrazide
N((E)(6BROMO13BENZODIOXOL5YL)METHYLIDENEAMINO)5TERTBUTYL1HPYRAZOLE3CARBOXAMIDE
ZINC000004811403
ZINC33352435
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