Vitas-M small molecule compound
(4Z)-4-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-2-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK231902
SMILES COc1ccc(cc1)N1N=C(/C(=C(/NCc2ccc3c(c2)OCO3)\C)/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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-13(22-11-15-4-9-18-19(10-15)28-12-27-18)20-14(2)23-24(21(20)25)16-5-7-17(26-3)8-6-16/h4-10,22H,11-12H2,1-3H3/b20-13-InChIKey
ZNEBDMRPTXWFSM-MOSHPQCFSA-NSynonyms
(4Z)4(1((13benzodioxol5ylmethyl)amino)ethylidene)2(4methoxyphenyl)5methyl24dihydro3Hpyrazol3one
(4Z)4(1(13BENZODIOXOL5YLMETHYLAMINO)ETHYLIDENE)2(4METHOXYPHENYL)5METHYLPYRAZOL3ONE
(Z)4(1((benzo(d)(13)dioxol5ylmethyl)amino)ethylidene)1(4methoxyphenyl)3methyl1Hpyrazol5(4H)one
4(((2HBENZO(34D)13DIOXOLEN5YLMETHYL)AMINO)ETHYLIDENE)1(4METHOXYPHENYL)3METHYL12DIAZOLIN5ONE
CC1=NN(C(=O)C1=C(C)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC
COc1ccc(cc1)N1N=C(C(=C(NCc2ccc3c(c2)OCO3)C)C1=O)C
InChI=1SC21H21N3O4c113(221115491819(1015)28122718)2014(2)2324(21(20)25)165717(263)8616h41022H1112H213H3b2013
MFCD07596659
ZINC000100422846
ZINC100422846
Check stock
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Check stock on Vitas-MAvailable files
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