Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-bromo-6-methoxyphenyl 4-methylbenzoate
Catalog ID
STK394792
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)cc(c1OC(=O)c1ccc(cc1)C)Br
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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 C33H26BrN3O7 MW 656.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26BrN3O7/c1-20-8-11-24(12-9-20)33(40)44-30-25(34)14-22(17-29(30)41-2)18-35-37-32(39)26(36-31(38)23-6-4-3-5-7-23)15-21-10-13-27-28(16-21)43-19-42-27/h3-18H,19H2,1-2H3,(H,36,38)(H,37,39)/b26-15+,35-18+InChIKey
NHGMGBQGMBXESP-WLDYLRPESA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2bromo6methoxyphenyl)4methylbenzoate
4((1E)2((2E)3(2HBENZO(34D)13DIOXOLAN5YL)2(PHENYLCARBONYLAMINO)PROP2ENOYLAMINO)2AZAVINYL)2BROMO6METHOXYPHENYL4METHYLBENZOATE
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2bromo6methoxyphenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=NNC(=O)C(=CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5)OC
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(c1OC(=O)c1ccc(cc1)C)Br
InChI=1SC33H26BrN3O7c12081124(12920)33(40)443025(34)1422(1729(30)412)18353732(39)26(3631(38)236435723)152110132728(1621)43194227h318H19H212H3(H3638)(H3739)b2615+3518+
MFCD01129439
ZINC000097964152
ZINC150629343
Check stock
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Check stock on Vitas-MAvailable files
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