Vitas-M small molecule compound
3-{2-[(4-benzylpiperazin-1-yl)carbonyl]benzyl}-1H-isochromen-1-one
Catalog ID
STL303499
SMILES O=C(c1ccccc1Cc1cc2ccccc2c(=O)o1)N1CCN(CC1)Cc1ccccc1
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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 C28H26N2O3 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O3/c31-27(30-16-14-29(15-17-30)20-21-8-2-1-3-9-21)25-12-6-4-10-22(25)18-24-19-23-11-5-7-13-26(23)28(32)33-24/h1-13,19H,14-18,20H2InChIKey
PSPOYSSNZVUZFB-UHFFFAOYSA-NSynonyms
921145-60-03((2(4benzylpiperazine1carbonyl)phenyl)methyl)isochromen1one
3(2((4benzylpiperazin1yl)carbonyl)benzyl)1Hisochromen1one
3(2(4benzylpiperazine1carbonyl)benzyl)1Hisochromen1one
921145600
C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3CC4=CC5=CC=CC=C5C(=O)O4
InChI=1SC28H26N2O3c3127(30161429(151730)20218213921)2512641022(25)1824192311571326(23)28(32)3324h11319H141820H2
MFCD08746499
ZINC000020426346
ZINC20426346
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