Vitas-M small molecule compound
3-(2-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}phenyl)-1H-isochromen-1-one
Catalog ID
STK717256
SMILES O=C(c1ccccc1c1cc2ccccc2c(=O)o1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C28H24N2O5 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5/c31-27(30-13-11-29(12-14-30)17-19-9-10-24-26(15-19)34-18-33-24)23-8-4-3-7-22(23)25-16-20-5-1-2-6-21(20)28(32)35-25/h1-10,15-16H,11-14,17-18H2InChIKey
BORACOGKFIYOJJ-UHFFFAOYSA-NSynonyms
929871-62-53(2((4(13benzodioxol5ylmethyl)piperazin1yl)carbonyl)phenyl)1Hisochromen1one
3(2(4(13benzodioxol5ylmethyl)piperazine1carbonyl)phenyl)isochromen1one
3(2(4(benzo(d)(13)dioxol5ylmethyl)piperazine1carbonyl)phenyl)1Hisochromen1one
929871625
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4C5=CC6=CC=CC=C6C(=O)O5
InChI=1SC28H24N2O5c3127(30131129(121430)17199102426(1519)34183324)23843722(23)251620512621(20)28(32)3525h1101516H11141718H2
MFCD09845153
ZINC000020426349
ZINC20426349
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