Vitas-M small molecule compound
propan-2-yl 4-{(4Z)-4-[3-methoxy-4-(2-methylpropoxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Catalog ID
STK004562
SMILES COc1cc(ccc1OCC(C)C)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)OC(C)C)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 C26H30N2O5 MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5/c1-16(2)15-32-23-12-7-19(14-24(23)31-6)13-22-18(5)27-28(25(22)29)21-10-8-20(9-11-21)26(30)33-17(3)4/h7-14,16-17H,15H2,1-6H3/b22-13-InChIKey
MYTMRMGQGTXVMD-XKZIYDEJSA-NSynonyms
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC(C)C)OC)C3=CC=C(C=C3)C(=O)OC(C)C
COc1cc(ccc1OCC(C)C)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)OC(C)C)C
InChI=1SC26H30N2O5c116(2)15322312719(1424(23)316)132218(5)2728(25(22)29)2110820(91121)26(30)3317(3)4h7141617H15H216H3b2213
MFCD04083764
PROPAN2YL4((4Z)4((3METHOXY4(2METHYLPROPOXY)PHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOATE
PROPAN2YL4((4Z)4(3METHOXY4(2METHYLPROPOXY)BENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOATE
STK004562
ZINC000012285229
ZINC12285229
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