Vitas-M small molecule compound
3-[(4-benzylpiperazin-1-yl)carbonyl]-6-(2-chlorobenzyl)-2H-chromen-2-one
Catalog ID
STL353492
SMILES O=c1oc2ccc(cc2cc1C(=O)N1CCN(CC1)Cc1ccccc1)Cc1ccccc1Cl
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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 C28H25ClN2O3 MW 472.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O3/c29-25-9-5-4-8-22(25)16-21-10-11-26-23(17-21)18-24(28(33)34-26)27(32)31-14-12-30(13-15-31)19-20-6-2-1-3-7-20/h1-11,17-18H,12-16,19H2InChIKey
AVOPQFUQOXPPJN-UHFFFAOYSA-NSynonyms
3((4benzylpiperazin1yl)carbonyl)6(2chlorobenzyl)2Hchromen2one
3(4benzylpiperazine1carbonyl)6((2chlorophenyl)methyl)chromen2one
C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)CC5=CC=CC=C5Cl)OC3=O
InChI=1SC28H25ClN2O3c2925954822(25)162110112623(1721)1824(28(33)3426)27(32)31141230(131531)19206213720h1111718H121619H2
MFCD08575456
ZINC000019804425
ZINC19804425
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