Vitas-M small molecule compound
4-{(Z)-[2-({[(3,4,5-trimethoxyphenyl)carbonyl]amino}acetyl)hydrazinylidene]methyl}phenyl 1,3-benzodioxole-5-carboxylate (non-preferred name)
Catalog ID
STK370383
SMILES COc1cc(cc(c1OC)OC)C(=O)NCC(=O)N/N=C\c1ccc(cc1)OC(=O)c1ccc2c(c1)OCO2
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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 C27H25N3O9 MW 535.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O9/c1-34-22-11-18(12-23(35-2)25(22)36-3)26(32)28-14-24(31)30-29-13-16-4-7-19(8-5-16)39-27(33)17-6-9-20-21(10-17)38-15-37-20/h4-13H,14-15H2,1-3H3,(H,28,32)(H,30,31)/b29-13-InChIKey
LJHDRIQFWAMYCZ-DBFSUHOCSA-NSynonyms
(4((Z)((2((345TRIMETHOXYBENZOYL)AMINO)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL)13BENZODIOXOLE5CARBOXYLATE
4((1Z)2(2((345TRIMETHOXYPHENYL)CARBONYLAMINO)ACETYLAMINO)2AZAVINYL)PHENYL2HBENZO(34D)13DIOXOLANE5CARBOXYLATE
4((Z)(2((((345trimethoxyphenyl)carbonyl)amino)acetyl)hydrazinylidene)methyl)phenyl13benzodioxole5carboxylate(nonpreferredname)
COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4
COc1cc(cc(c1OC)OC)C(=O)NCC(=O)NN=Cc1ccc(cc1)OC(=O)c1ccc2c(c1)OCO2
InChI=1SC27H25N3O9c134221118(1223(352)25(22)363)26(32)281424(31)302913164719(8516)3927(33)17692021(1017)38153720h413H1415H213H3(H2832)(H3031)b2913
MFCD00305241
ZINC000097962863
ZINC102107737
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.