Vitas-M small molecule compound

methyl {7-hydroxy-4-methyl-2-oxo-8-[(4-phenylpiperazin-1-yl)methyl]-2H-chromen-3-yl}acetate

Catalog ID
STL308908
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2CN1CCN(CC1)c1ccccc1)O

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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 C24H26N2O5 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5/c1-16-18-8-9-21(27)20(23(18)31-24(29)19(16)14-22(28)30-2)15-25-10-12-26(13-11-25)17-6-4-3-5-7-17/h3-9,27H,10-15H2,1-2H3
InChIKey
BBCFPCMMXHEPFN-UHFFFAOYSA-N
Synonyms
1435906-00-5
1435906005
CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCN(CC3)C4=CC=CC=C4)O)CC(=O)OC
InChI=1SC24H26N2O5c116188921(27)20(23(18)3124(29)19(16)1422(28)302)1525101226(131125)176435717h3927H1015H212H3
methyl(7hydroxy4methyl2oxo8((4phenylpiperazin1yl)methyl)2Hchromen3yl)acetate
methyl2(7hydroxy4methyl2oxo8((4phenylpiperazin1yl)methyl)2Hchromen3yl)acetate
methyl2(7hydroxy4methyl2oxo8((4phenylpiperazin1yl)methyl)chromen3yl)acetate
MFCD23139733
ZINC000095472189
ZINC95472189

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Available files

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