Vitas-M small molecule compound
1-benzyl-4-[3-(benzyloxy)phenyl]-3-methyl-4,6,7,8-tetrahydrochromeno[2,3-c]pyrazol-5(1H)-one
Catalog ID
STK334070
SMILES O=C1CCCC2=C1C(c1cccc(c1)OCc1ccccc1)c1c(O2)n(nc1C)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 C31H28N2O3 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O3/c1-21-28-29(24-14-8-15-25(18-24)35-20-23-12-6-3-7-13-23)30-26(34)16-9-17-27(30)36-31(28)33(32-21)19-22-10-4-2-5-11-22/h2-8,10-15,18,29H,9,16-17,19-20H2,1H3InChIKey
BAAOHNPKLZNMPV-UHFFFAOYSA-NSynonyms
1benzyl3methyl4(3phenylmethoxyphenyl)4678tetrahydrochromeno(23c)pyrazol5one
1benzyl4(3(benzyloxy)phenyl)3methyl4678tetrahydrochromeno(23c)pyrazol5(1H)one
CC1=NN(C2=C1C(C3=C(O2)CCCC3=O)C4=CC(=CC=C4)OCC5=CC=CC=C5)CC6=CC=CC=C6
InChI=1SC31H28N2O3c1212829(241481525(1824)352023126371323)3026(34)1691727(30)3631(28)33(3221)1922104251122h2810151829H916171920H21H3
MFCD09963421
ZINC000018196838
ZINC000018196840
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