Vitas-M small molecule compound
N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK514059
SMILES C/C(=C\c1ccccc1)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1
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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 C27H23N3O4 MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4/c1-19(14-20-8-4-2-5-9-20)17-28-30-27(32)23(29-26(31)22-10-6-3-7-11-22)15-21-12-13-24-25(16-21)34-18-33-24/h2-17H,18H2,1H3,(H,29,31)(H,30,32)/b19-14+,23-15+,28-17+InChIKey
APKIAFPJVOZLRK-IZIAZMTESA-NSynonyms
424798-22-1424798221
CC(=CC1=CC=CC=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4
CC(=Cc1ccccc1)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
InChI=1SC27H23N3O4c119(14208425920)17283027(32)23(2926(31)22106371122)152112132425(1621)34183324h217H18H21H3(H2931)(H3032)b1914+2315+2817+
MFCD00843183
N((1E)1(13benzodioxol5yl)3((2E)2((2E)2methyl3phenylprop2en1ylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N((E)1(13BENZODIOXOL5YL)3((2E)2((E)2METHYL3PHENYLPROP2ENYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)1(benzo(d)(13)dioxol5yl)3((E)2((E)2methyl3phenylallylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N(2(13BENZODIOXOL5YL)1((2(2METHYL3PHENYL2PROPENYLIDENE)HYDRAZINO)CARBONYL)VINYL)BENZAMIDE
ZINC000008427133
ZINC33411311
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