Vitas-M small molecule compound

methyl 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

Catalog ID
STK185208
SMILES COC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc3c(c2)OCO3)/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 C20H16N2O5 MW 364.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5/c1-12-16(9-13-3-8-17-18(10-13)27-11-26-17)19(23)22(21-12)15-6-4-14(5-7-15)20(24)25-2/h3-10H,11H2,1-2H3/b16-9-
InChIKey
HHJGUOQXRIDUGB-SXGWCWSVSA-N
Synonyms

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc3c(c2)OCO3)C1=O)C
InChI=1SC20H16N2O5c11216(913381718(1013)27112617)19(23)22(2112)156414(5715)20(24)252h310H11H212H3b169
METHYL4((4Z)4(13BENZODIOXOL5YLMETHYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOATE
METHYL4((4Z)4(13BENZODIOXOL5YLMETHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOATE
MFCD02578411
ZINC000004723459
ZINC04723459
ZINC4723459

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Available files

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