Vitas-M small molecule compound
4-{(2E)-2-[(6-{2-[acetyl(methyl)amino]ethyl}-4-methoxy-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}benzoic acid
Catalog ID
STK592584
SMILES COc1c(/C=N/Nc2ccc(cc2)C(=O)O)c(CCN(C(=O)C)C)cc2c1OCO2
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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 C21H23N3O6 MW 413.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O6/c1-13(25)24(2)9-8-15-10-18-20(30-12-29-18)19(28-3)17(15)11-22-23-16-6-4-14(5-7-16)21(26)27/h4-7,10-11,23H,8-9,12H2,1-3H3,(H,26,27)/b22-11+InChIKey
OLELFZLXWHVDPQ-SSDVNMTOSA-NSynonyms
877789-45-2(E)4(2((4methoxy6(2(Nmethylacetamido)ethyl)benzo(d)(13)dioxol5yl)methylene)hydrazinyl)benzoicacid
4((2E)2((6(2(acetyl(methyl)amino)ethyl)4methoxy13benzodioxol5yl)methylidene)hydrazinyl)benzoicacid
4(N(1(6(2(ACETYLMETHYLAMINO)ETHYL)4METHOXYBENZO(13)DIOXOL5YL)METH(E)YLIDENE)HYDRAZINO)BENZOICACID
877789452
CC(=O)N(C)CCC1=CC2=C(C(=C1C=NNC3=CC=C(C=C3)C(=O)O)OC)OCO2
COc1c(C=NNc2ccc(cc2)C(=O)O)c(CCN(C(=O)C)C)cc2c1OCO2
InChI=1SC21H23N3O6c113(25)24(2)9815101820(30122918)19(283)17(15)112223166414(5716)21(26)27h47101123H8912H213H3(H2627)b2211+
MFCD05701927
ZINC000005562681
ZINC13144012
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