Vitas-M small molecule compound

methyl 3-{[2-(2,4-dichlorophenoxy)propanoyl]amino}-4-(4-ethylpiperazin-1-yl)benzoate

Catalog ID
STK189136
SMILES CCN1CCN(CC1)c1ccc(cc1NC(=O)C(Oc1ccc(cc1Cl)Cl)C)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 C23H27Cl2N3O4 MW 480.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27Cl2N3O4/c1-4-27-9-11-28(12-10-27)20-7-5-16(23(30)31-3)13-19(20)26-22(29)15(2)32-21-8-6-17(24)14-18(21)25/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,29)
InChIKey
XGAGQPVJJXVWGB-UHFFFAOYSA-N
Synonyms

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl
InChI=1SC23H27Cl2N3O4c142791128(121027)207516(23(30)313)1319(20)2622(29)15(2)32218617(24)1418(21)25h581315H4912H213H3(H2629)
METHYL3((2(24DICHLOROPHENOXY)PROPANOYL)AMINO)4(4ETHYLPIPERAZIN1YL)BENZOATE
methyl3(2(24dichlorophenoxy)propanoylamino)4(4ethylpiperazin1yl)benzoate
MFCD06665221
ZINC000009908012
ZINC000009908013

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Available files

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