Vitas-M small molecule compound
(4E)-4-({1-[3-(benzylamino)-2-hydroxypropyl]-1H-indol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK576508
SMILES OC(Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C)CNCc1ccccc1
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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 C29H28N4O2 MW 464.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O2/c1-21-27(29(35)33(31-21)24-12-6-3-7-13-24)16-23-19-32(28-15-9-8-14-26(23)28)20-25(34)18-30-17-22-10-4-2-5-11-22/h2-16,19,25,30,34H,17-18,20H2,1H3/b27-16+InChIKey
HFIKYBCDMVMSNC-JVWAILMASA-NSynonyms
892620-32-5(4E)4((1(3(benzylamino)2hydroxypropyl)1Hindol3yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((1(3(BENZYLAMINO)2HYDROXYPROPYL)INDOL3YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(E)4((1(3(benzylamino)2hydroxypropyl)1Hindol3yl)methylene)3methyl1phenyl1Hpyrazol5(4H)one
892620325
CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCC4=CC=CC=C4)O)C5=CC=CC=C5
InChI=1SC29H28N4O2c12127(29(35)33(3121)24126371324)16231932(2815981426(23)28)2025(34)18301722104251122h21619253034H171820H21H3b2716+
MFCD06790654
OC(Cn1cc(c2c1cccc2)C=C1C(=NN(C1=O)c1ccccc1)C)CNCc1ccccc1
ZINC000101359920
ZINC000101359923
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