Vitas-M small molecule compound

ethyl 3-{[(4-butoxyphenyl)carbonyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Catalog ID
STK189060
SMILES CCCCOc1ccc(cc1)C(=O)Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)C(=O)OCC

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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 C31H35N3O5 MW 529.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O5/c1-3-5-21-39-26-14-11-23(12-15-26)29(35)32-27-22-25(31(37)38-4-2)13-16-28(27)33-17-19-34(20-18-33)30(36)24-9-7-6-8-10-24/h6-16,22H,3-5,17-21H2,1-2H3,(H,32,35)
InChIKey
RTKTZGFJJIKEIB-UHFFFAOYSA-N
Synonyms

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C(=O)C4=CC=CC=C4
ETHYL3(((4BUTOXYPHENYL)CARBONYL)AMINO)4(4(PHENYLCARBONYL)PIPERAZIN1YL)BENZOATE
ethyl4(4benzoylpiperazin1yl)3((4butoxybenzoyl)amino)benzoate
InChI=1SC31H35N3O5c135213926141123(121526)29(35)32272225(31(37)3842)131628(27)33171934(201833)30(36)2497681024h61622H351721H212H3(H3235)
MFCD06665147
ZINC000009907978
ZINC09907978
ZINC9907978

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Available files

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