Vitas-M small molecule compound

methyl 4-amino-1-(4-chlorophenyl)-3-(morpholin-4-ylcarbonyl)-1H-pyrazole-5-carboxylate

Catalog ID
STK983415
SMILES COC(=O)c1c(N)c(nn1c1ccc(cc1)Cl)C(=O)N1CCOCC1

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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 C16H17ClN4O4 MW 364.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClN4O4/c1-24-16(23)14-12(18)13(15(22)20-6-8-25-9-7-20)19-21(14)11-4-2-10(17)3-5-11/h2-5H,6-9,18H2,1H3
InChIKey
VNYZKYDCAUEEKA-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CCOCC3)N
InChI=1SC16H17ClN4O4c12416(23)1412(18)13(15(22)2068259720)1921(14)114210(17)3511h25H6918H21H3
methyl4amino1(4chlorophenyl)3(morpholin4ylcarbonyl)1Hpyrazole5carboxylate
methyl4amino2(4chlorophenyl)5(morpholine4carbonyl)pyrazole3carboxylate
MFCD10045259
ZINC000011615571
ZINC11615571

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.