Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-methoxyphenyl 4-chlorobenzoate
Catalog ID
STK513894
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(cc1)Cl
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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 C32H24ClN3O7 MW 598.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24ClN3O7/c1-40-28-17-21(8-14-27(28)43-32(39)23-9-11-24(33)12-10-23)18-34-36-31(38)25(35-30(37)22-5-3-2-4-6-22)15-20-7-13-26-29(16-20)42-19-41-26/h2-18H,19H2,1H3,(H,35,37)(H,36,38)/b25-15+,34-18+InChIKey
QTHQWKVSHJXBPR-BJOHUXPJSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)4chlorobenzoate
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl4chlorobenzoate
COC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)Cl
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(cc1)Cl
InChI=1SC32H24ClN3O7c140281721(81427(28)4332(39)2391124(33)121023)18343631(38)25(3530(37)225324622)15207132629(1620)42194126h218H19H21H3(H3537)(H3638)b2515+3418+
MFCD01129452
ZINC000097964215
ZINC102276685
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