Vitas-M small molecule compound

3,3'-methanediylbis(6-{[(3,4-dimethoxyphenyl)carbonyl]amino}benzoic acid)

Catalog ID
STK081684
SMILES COc1cc(ccc1OC)C(=O)Nc1ccc(cc1C(=O)O)Cc1ccc(c(c1)C(=O)O)NC(=O)c1ccc(c(c1)OC)OC

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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 C33H30N2O10 MW 614.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O10/c1-42-26-11-7-20(16-28(26)44-3)30(36)34-24-9-5-18(14-22(24)32(38)39)13-19-6-10-25(23(15-19)33(40)41)35-31(37)21-8-12-27(43-2)29(17-21)45-4/h5-12,14-17H,13H2,1-4H3,(H,34,36)(H,35,37)(H,38,39)(H,40,41)
InChIKey
YMAHKXJOPZIQNS-UHFFFAOYSA-N
Synonyms

33METHANEDIYLBIS(6(((34DIMETHOXYPHENYL)CARBONYL)AMINO)BENZOICACID)
5((3CARBOXY4((34DIMETHOXYBENZOYL)AMINO)PHENYL)METHYL)2((34DIMETHOXYBENZOYL)AMINO)BENZOICACID
COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC)C(=O)O)C(=O)O)OC
COc1cc(ccc1OC)C(=O)Nc1ccc(cc1C(=O)O)Cc1ccc(c(c1)C(=O)O)NC(=O)c1ccc(c(c1)OC)OC
InChI=1SC33H30N2O10c1422611720(1628(26)443)30(36)34249518(1422(24)32(38)39)131961025(23(1519)33(40)41)3531(37)2181227(432)29(1721)454h5121417H13H214H3(H3436)(H3537)(H3839)(H4041)
MFCD01003842
STK081684
ZINC000029747831
ZINC29747831

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.