Vitas-M small molecule compound

sodium {(1E)-1-[3-(2-methoxy-2-oxoethyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}(5-methyl-1,2-oxazol-3-yl)azanide

Catalog ID
STK513705
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(/N(c1noc(c1)C)[Na])\C)c1ccccc1

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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 C18H17N4NaO4 MW 376.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4.Na/c1-11-9-15(21-26-11)19-12(2)17-14(10-16(23)25-3)20-22(18(17)24)13-7-5-4-6-8-13;/h4-9H,10H2,1-3H3,(H,19,20,21,24);/q;+1/p-1
InChIKey
JCVRBBLQORIAAM-UHFFFAOYSA-M
Synonyms

CC1=CC(=NC(=C2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)OC)C)(N)O1(Na+)
COC(=O)CC1=NN(C(=O)C1=C(N(c1noc(c1)C)(Na))C)c1ccccc1
InChI=1SC18H18N4O4Nac111915(212611)1912(2)1714(1016(23)253)2022(18(17)24)137546813h49H10H213H3(H19202124)q+1p1
MFCD13370445
sodium((1E)1(3(2methoxy2oxoethyl)5oxo1phenyl15dihydro4Hpyrazol4ylidene)ethyl)(5methyl12oxazol3yl)azanide
sodiummethyl2(4(1((5methyl12oxazol2id3ylidene)amino)ethylidene)5oxo1phenylpyrazol3yl)acetate

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Available files

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