Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK098954
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1ccc(o1)c1ccc(c(c1)Cl)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 C29H22ClN3O5 MW 527.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O5/c1-18-7-9-21(15-23(18)30)25-12-10-22(38-25)16-31-33-29(35)24(32-28(34)20-5-3-2-4-6-20)13-19-8-11-26-27(14-19)37-17-36-26/h2-16H,17H2,1H3,(H,32,34)(H,33,35)/b24-13+,31-16+InChIKey
DFTWKDSBPIWLON-FVPSJGGKSA-NSynonyms
CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)C(=CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5)Cl
InChI=1SC29H22ClN3O5c1187921(1523(18)30)25121022(3825)16313329(35)24(3228(34)205324620)13198112627(1419)37173626h216H17H21H3(H3234)(H3335)b2413+3116+
MFCD08673518
N((1E)1(13BENZODIOXOL5YL)3((2E)2((5(3CHLORO4METHYLPHENYL)FURAN2YL)METHYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)1(13benzodioxol5yl)3((2E)2((5(3chloro4methylphenyl)furan2yl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=Cc1ccc(o1)c1ccc(c(c1)Cl)C
STK098954
ZINC000097959460
ZINC101501043
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