Vitas-M small molecule compound
4-[(Z)-{2-[(7-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]hydrazinylidene}methyl]benzoic acid
Catalog ID
STK745340
SMILES O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)N/N=C\c1ccc(cc1)C(=O)O
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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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-21(2,3)15-8-9-16-17(10-15)28-18(12-27-16)19(24)23-22-11-13-4-6-14(7-5-13)20(25)26/h4-11,18H,12H2,1-3H3,(H,23,24)(H,25,26)/b22-11-InChIKey
MNLSWXXIUIOFKC-JJFYIABZSA-NSynonyms
369394-66-1(Z)4((2(7(tertbutyl)23dihydrobenzo(b)(14)dioxine2carbonyl)hydrazono)methyl)benzoicacid
369394661
4((Z)((6TERTBUTYL23DIHYDRO14BENZODIOXINE3CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
4((Z)(2((7tertbutyl23dihydro14benzodioxin2yl)carbonyl)hydrazinylidene)methyl)benzoicacid
CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=C(C=C3)C(=O)O
InChI=1SC21H22N2O5c121(23)15891617(1015)2818(122716)19(24)232211134614(7513)20(25)26h41118H12H213H3(H2324)(H2526)b2211
MFCD02910887
O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)NN=Cc1ccc(cc1)C(=O)O
ZINC000031853573
ZINC000031853576
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