Vitas-M small molecule compound

3-(4-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}phenoxy)-7-methoxy-4H-chromen-4-one

Catalog ID
STK858250
SMILES COc1ccc2c(c1)occ(c2=O)Oc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(c1)Cl

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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 C27H23ClN2O5 MW 490.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O5/c1-33-22-9-10-23-24(16-22)34-17-25(26(23)31)35-21-7-5-18(6-8-21)27(32)30-13-11-29(12-14-30)20-4-2-3-19(28)15-20/h2-10,15-17H,11-14H2,1H3
InChIKey
PJQGJARJISBCAR-UHFFFAOYSA-N
Synonyms
951998-42-8
3(4((4(3chlorophenyl)piperazin1yl)carbonyl)phenoxy)7methoxy4Hchromen4one
3(4((4(3CHLOROPHENYL)PIPERAZINYL)CARBONYL)PHENOXY)7METHOXYCHROMEN4ONE
3(4(4(3CHLOROPHENYL)PIPERAZINE1CARBONYL)PHENOXY)7METHOXY4HCHROMEN4ONE
3(4(4(3chlorophenyl)piperazine1carbonyl)phenoxy)7methoxychromen4one
951998428
COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl
InChI=1SC27H23ClN2O5c133229102324(1622)341725(26(23)31)35217518(6821)27(32)30131129(121430)2042319(28)1520h2101517H1114H21H3
MFCD09852846
ZINC000013691741
ZINC13691741

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Available files

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