Vitas-M small molecule compound
(4E)-4-({1-[3-(dibutylamino)-2-hydroxypropyl]-1H-indol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL445190
SMILES CCCCN(CC(Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C)O)CCCC
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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 C30H38N4O2 MW 486.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N4O2/c1-4-6-17-32(18-7-5-2)21-26(35)22-33-20-24(27-15-11-12-16-29(27)33)19-28-23(3)31-34(30(28)36)25-13-9-8-10-14-25/h8-16,19-20,26,35H,4-7,17-18,21-22H2,1-3H3/b28-19+InChIKey
MJICQGMQLJIKBI-TURZUDJPSA-NSynonyms
(4E)4((1(3(dibutylamino)2hydroxypropyl)1Hindol3yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((1(3(DIBUTYLAMINO)2HYDROXYPROPYL)INDOL3YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
CCCCN(CC(Cn1cc(c2c1cccc2)C=C1C(=NN(C1=O)c1ccccc1)C)O)CCCC
CCCCN(CCCC)CC(CN1C=C(C2=CC=CC=C21)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)O
InChI=1SC30H38N4O2c1461732(18752)2126(35)22332024(271511121629(27)33)192823(3)3134(30(28)36)251398101425h81619202635H4717182122H213H3b2819+
MFCD06240734
ZINC000008756857
ZINC000008756861
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