Vitas-M small molecule compound
methyl [(4Z)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK261998
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCCc1c[nH]cn1)/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 C20H23N5O4 MW 397.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O4/c1-13(22-9-8-14-11-21-12-23-14)19-17(10-18(26)29-3)24-25(20(19)27)15-4-6-16(28-2)7-5-15/h4-7,11-12,22H,8-10H2,1-3H3,(H,21,23)/b19-13-InChIKey
IVLORDZSCPTNRL-UYRXBGFRSA-NSynonyms
(Z)methyl2(4(1((2(1Himidazol4yl)ethyl)amino)ethylidene)1(4methoxyphenyl)5oxo45dihydro1Hpyrazol3yl)acetate
CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)OC)CC(=O)OC)NCCC3=CN=CN3
COC(=O)CC1=NN(C(=O)C1=C(NCCc1c(nH)cn1)C)c1ccc(cc1)OC
InChI=1SC20H23N5O4c113(2298141121122314)1917(1018(26)293)2425(20(19)27)154616(282)7515h47111222H810H213H3(H2123)b1913
methyl((4Z)4(1((2(1Himidazol4yl)ethyl)amino)ethylidene)1(4methoxyphenyl)5oxo45dihydro1Hpyrazol3yl)acetate
methyl2((4Z)4(1(2(1Himidazol5yl)ethylamino)ethylidene)1(4methoxyphenyl)5oxopyrazol3yl)acetate
METHYL2(4(((2IMIDAZOL4YLETHYL)AMINO)ETHYLIDENE)1(4METHOXYPHENYL)5OXO12DIAZOLIN3YL)ACETATE
MFCD07597648
ZINC000009059663
ZINC09059663
ZINC9059663
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.