Vitas-M small molecule compound

methyl [(4Z)-1-(4-methoxyphenyl)-4-{1-[(2-methylpropyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate

Catalog ID
STK262000
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCC(C)C)/C)c1ccc(cc1)OC

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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 C19H25N3O4 MW 359.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O4/c1-12(2)11-20-13(3)18-16(10-17(23)26-5)21-22(19(18)24)14-6-8-15(25-4)9-7-14/h6-9,12,20H,10-11H2,1-5H3/b18-13-
InChIKey
MWGYMCXDPLNUJO-AQTBWJFISA-N
Synonyms

(Z)methyl2(4(1(isobutylamino)ethylidene)1(4methoxyphenyl)5oxo45dihydro1Hpyrazol3yl)acetate
CC(C)CNC(=C1C(=NN(C1=O)C2=CC=C(C=C2)OC)CC(=O)OC)C
COC(=O)CC1=NN(C(=O)C1=C(NCC(C)C)C)c1ccc(cc1)OC
InChI=1SC19H25N3O4c112(2)112013(3)1816(1017(23)265)2122(19(18)24)146815(254)9714h691220H1011H215H3b1813
methyl((4Z)1(4methoxyphenyl)4(1((2methylpropyl)amino)ethylidene)5oxo45dihydro1Hpyrazol3yl)acetate
methyl2((4Z)1(4methoxyphenyl)4(1(2methylpropylamino)ethylidene)5oxopyrazol3yl)acetate
METHYL2(1(4METHOXYPHENYL)4(((2METHYLPROPYL)AMINO)ETHYLIDENE)5OXO12DIAZOLIN3YL)ACETATE
MFCD07597672
ZINC000009060119
ZINC09060119
ZINC9060119

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.