Vitas-M small molecule compound
3-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl 3-bromobenzoate
Catalog ID
STK672007
SMILES Brc1cccc(c1)C(=O)Oc1cccc(c1)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1
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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 C31H22BrN3O6 MW 612.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22BrN3O6/c32-24-10-5-9-23(17-24)31(38)41-25-11-4-6-21(14-25)18-33-35-30(37)26(34-29(36)22-7-2-1-3-8-22)15-20-12-13-27-28(16-20)40-19-39-27/h1-18H,19H2,(H,34,36)(H,35,37)/b26-15+,33-18+InChIKey
PDSFNJWJUYIXSM-MLGUNKCSSA-NSynonyms
(3((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)phenyl)3bromobenzoate
3((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)phenyl3bromobenzoate
Brc1cccc(c1)C(=O)Oc1cccc(c1)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)Br)NC(=O)C5=CC=CC=C5
InChI=1SC31H22BrN3O6c3224105923(1724)31(38)4125114621(1425)18333530(37)26(3429(36)227213822)152012132728(1620)40193927h118H19H2(H3436)(H3537)b2615+3318+
MFCD00822143
ZINC000100047121
ZINC102776832
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