Vitas-M small molecule compound

methyl 4-({(1Z)-1-[3-(2-methoxy-2-oxoethyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate

Catalog ID
STK262027
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\Nc1ccc(cc1)C(=O)OC)/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 C22H21N3O5 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5/c1-14(23-16-11-9-15(10-12-16)22(28)30-3)20-18(13-19(26)29-2)24-25(21(20)27)17-7-5-4-6-8-17/h4-12,23H,13H2,1-3H3/b20-14-
InChIKey
NSXLZDGQXTVHIT-ZHZULCJRSA-N
Synonyms

(Z)methyl4((1(3(2methoxy2oxoethyl)5oxo1phenyl1Hpyrazol4(5H)ylidene)ethyl)amino)benzoate
CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NC3=CC=C(C=C3)C(=O)OC
COC(=O)CC1=NN(C(=O)C1=C(Nc1ccc(cc1)C(=O)OC)C)c1ccccc1
InChI=1SC22H21N3O5c114(231611915(101216)22(28)303)2018(1319(26)292)2425(21(20)27)177546817h41223H13H213H3b2014
METHYL2(4(((4(METHOXYCARBONYL)PHENYL)AMINO)ETHYLIDENE)5OXO1PHENYL12DIAZOLIN3YL)ACETATE
methyl4(((1Z)1(3(2methoxy2oxoethyl)5oxo1phenyl15dihydro4Hpyrazol4ylidene)ethyl)amino)benzoate
methyl4(((1Z)1(3(2methoxy2oxoethyl)5oxo1phenylpyrazol4ylidene)ethyl)amino)benzoate
MFCD07598006
ZINC000009304357
ZINC09304357
ZINC9304357

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Available files

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