Vitas-M small molecule compound
(4E)-2-(4-iodophenyl)-5-methyl-4-({[4-(morpholin-4-ylcarbonyl)phenyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295881
SMILES Ic1ccc(cc1)N1N=C(/C(=C\Nc2ccc(cc2)C(=O)N2CCOCC2)/C1=O)C
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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 C22H21IN4O3 MW 516.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21IN4O3/c1-15-20(22(29)27(25-15)19-8-4-17(23)5-9-19)14-24-18-6-2-16(3-7-18)21(28)26-10-12-30-13-11-26/h2-9,14,24H,10-13H2,1H3/b20-14+InChIKey
SAIBWYVWYPZEQV-XSFVSMFZSA-NSynonyms
(4E)2(4iodophenyl)5methyl4(((4(morpholin4ylcarbonyl)phenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(4iodophenyl)5methyl4((4(morpholine4carbonyl)anilino)methylidene)pyrazol3one
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)C(=O)N3CCOCC3)C4=CC=C(C=C4)I
Ic1ccc(cc1)N1N=C(C(=CNc2ccc(cc2)C(=O)N2CCOCC2)C1=O)C
InChI=1SC22H21IN4O3c11520(22(29)27(2515)198417(23)5919)1424186216(3718)21(28)26101230131126h291424H1013H21H3b2014+
MFCD28033201
ZINC000101128673
ZINC101128673
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