Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl 2,4-dichlorobenzoate
Catalog ID
STK513895
SMILES Clc1ccc(c(c1)Cl)C(=O)Oc1ccc(cc1)/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 C31H21Cl2N3O6 MW 602.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21Cl2N3O6/c32-22-9-12-24(25(33)16-22)31(39)42-23-10-6-19(7-11-23)17-34-36-30(38)26(35-29(37)21-4-2-1-3-5-21)14-20-8-13-27-28(15-20)41-18-40-27/h1-17H,18H2,(H,35,37)(H,36,38)/b26-14+,34-17+InChIKey
CDCBZXJVUYRYRW-QZLACCJSSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)phenyl)24dichlorobenzoate
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)phenyl24dichlorobenzoate
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl)NC(=O)C5=CC=CC=C5
Clc1ccc(c(c1)Cl)C(=O)Oc1ccc(cc1)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
InChI=1SC31H21Cl2N3O6c322291224(25(33)1622)31(39)422310619(71123)17343630(38)26(3529(37)214213521)14208132728(1520)41184027h117H18H2(H3537)(H3638)b2614+3417+
MFCD01146939
ZINC000097964216
ZINC102276708
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