Vitas-M small molecule compound

N-{1-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl}-1,3-benzodioxole-5-carboxamide (non-preferred name)

Catalog ID
STK114071
SMILES Brc1ccc(cc1)/C=N/NC(=O)C(C(C)C)NC(=O)c1ccc2c(c1)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 C20H20BrN3O4 MW 446.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O4/c1-12(2)18(20(26)24-22-10-13-3-6-15(21)7-4-13)23-19(25)14-5-8-16-17(9-14)28-11-27-16/h3-10,12,18H,11H2,1-2H3,(H,23,25)(H,24,26)/b22-10+
InChIKey
OZDIJUGKUUCVFB-LSHDLFTRSA-N
Synonyms

Brc1ccc(cc1)C=NNC(=O)C(C(C)C)NC(=O)c1ccc2c(c1)OCO2
CC(C)C(C(=O)NN=CC1=CC=C(C=C1)Br)NC(=O)C2=CC3=C(C=C2)OCO3
InChI=1SC20H20BrN3O4c112(2)18(20(26)242210133615(21)7413)2319(25)14581617(914)28112716h3101218H11H212H3(H2325)(H2426)b2210+
MFCD04084684
N(1((2E)2((4bromophenyl)methylidene)hydrazinyl)3methyl1oxobutan2yl)13benzodioxole5carboxamide
N(1((2E)2(4BROMOBENZYLIDENE)HYDRAZINYL)3METHYL1OXOBUTAN2YL)13BENZODIOXOLE5CARBOXAMIDE(NONPREFERREDNAME)
ZINC000009305938
ZINC000009305940

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Available files

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