Vitas-M small molecule compound

methyl 4-(4-benzylpiperazin-1-yl)-3-{[(3-chloro-4-ethoxyphenyl)carbonyl]amino}benzoate

Catalog ID
STK195178
SMILES CCOc1ccc(cc1Cl)C(=O)Nc1cc(ccc1N1CCN(CC1)Cc1ccccc1)C(=O)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 C28H30ClN3O4 MW 508.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O4/c1-3-36-26-12-10-21(17-23(26)29)27(33)30-24-18-22(28(34)35-2)9-11-25(24)32-15-13-31(14-16-32)19-20-7-5-4-6-8-20/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,30,33)
InChIKey
QDTZQDXZGGRZFH-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4)Cl
InChI=1SC28H30ClN3O4c133626121021(1723(26)29)27(33)30241822(28(34)352)91125(24)32151331(141632)19207546820h4121718H3131619H212H3(H3033)
METHYL4(4BENZYLPIPERAZIN1YL)3(((3CHLORO4ETHOXYPHENYL)CARBONYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3((3chloro4ethoxybenzoyl)amino)benzoate
MFCD06665642
ZINC000057222794
ZINC57222794

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Available files

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