Vitas-M small molecule compound
methyl [(4Z)-4-[1-(benzylamino)ethylidene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK234760
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCc1ccccc1)/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 C22H23N3O4 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4/c1-15(23-14-16-7-5-4-6-8-16)21-19(13-20(26)29-3)24-25(22(21)27)17-9-11-18(28-2)12-10-17/h4-12,23H,13-14H2,1-3H3/b21-15-InChIKey
DDDZBSFKYRMDAL-QNGOZBTKSA-NSynonyms
CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)OC)CC(=O)OC)NCC3=CC=CC=C3
COC(=O)CC1=NN(C(=O)C1=C(NCc1ccccc1)C)c1ccc(cc1)OC
InChI=1SC22H23N3O4c115(2314167546816)2119(1320(26)293)2425(22(21)27)1791118(282)121017h41223H1314H213H3b2115
methyl((4Z)4(1(benzylamino)ethylidene)1(4methoxyphenyl)5oxo45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)4(1(BENZYLAMINO)ETHYLIDENE)1(4METHOXYPHENYL)5OXOPYRAZOL3YL)ACETATE
METHYL2(1(4METHOXYPHENYL)5OXO4((BENZYLAMINO)ETHYLIDENE)12DIAZOLIN3YL)ACETATE
MFCD07597716
ZINC000004999641
ZINC04999641
ZINC4999641
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