Vitas-M small molecule compound

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

Catalog ID
STL364197
SMILES CC(C(C(=O)N/N=C/c1ccccc1)NC(=O)c1ccc2c(c1)OCO2)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 C20H21N3O4 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4/c1-13(2)18(20(25)23-21-11-14-6-4-3-5-7-14)22-19(24)15-8-9-16-17(10-15)27-12-26-16/h3-11,13,18H,12H2,1-2H3,(H,22,24)(H,23,25)/b21-11+
InChIKey
YHVFPSKSZWULNS-SRZZPIQSSA-N
Synonyms

CC(C(C(=O)NN=Cc1ccccc1)NC(=O)c1ccc2c(c1)OCO2)C
CC(C)C(C(=O)NN=CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)OCO3
InChI=1SC20H21N3O4c113(2)18(20(25)232111146435714)2219(24)15891617(1015)27122616h3111318H12H212H3(H2224)(H2325)b2111+
MFCD04276486
N(1((2E)2benzylidenehydrazinyl)3methyl1oxobutan2yl)13benzodioxole5carboxamide
N(1((2E)2benzylidenehydrazinyl)3methyl1oxobutan2yl)13benzodioxole5carboxamide(nonpreferredname)
ZINC000006828364
ZINC000006828382

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Available files

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