Vitas-M small molecule compound
N-{(1E)-3-{(2E)-2-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-ylidene]hydrazinyl}-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl}-2-chlorobenzamide
Catalog ID
STK375750
SMILES CN(c1ccc(cc1)/C=C(\C(=O)N/N=C/C=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1Cl)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 C28H25ClN4O4 MW 516.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O4/c1-33(2)21-12-9-20(10-13-21)16-24(31-27(34)22-7-3-4-8-23(22)29)28(35)32-30-15-5-6-19-11-14-25-26(17-19)37-18-36-25/h3-17H,18H2,1-2H3,(H,31,34)(H,32,35)/b6-5+,24-16+,30-15+InChIKey
YDUSTILCGRSBOQ-HXMIGJGHSA-NSynonyms
(2E)N((1E3E)4(2HBENZO(34D)13DIOXOLEN5YL)1AZABUTA13DIENYL)3(4(DIMETHYLAMINO)PHENYL)2((2CHLOROPHENYL)CARBONYLAMINO)PROP2ENAMIDE
CN(C)C1=CC=C(C=C1)C=C(C(=O)NN=CC=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4Cl
CN(c1ccc(cc1)C=C(C(=O)NN=CC=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl)C
InChI=1SC28H25ClN4O4c133(2)2112920(101321)1624(3127(34)22734823(22)29)28(35)323015561911142526(1719)37183625h317H18H212H3(H3134)(H3235)b65+2416+3015+
MFCD01147795
N((1E)3((2E)2((2E)3(13benzodioxol5yl)prop2en1ylidene)hydrazinyl)1(4(dimethylamino)phenyl)3oxoprop1en2yl)2chlorobenzamide
N((E)3((2E)2((E)3(13benzodioxol5yl)prop2enylidene)hydrazinyl)1(4(dimethylamino)phenyl)3oxoprop1en2yl)2chlorobenzamide
ZINC000004045772
Check stock
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Check stock on Vitas-MAvailable files
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