Vitas-M small molecule compound

methyl 4-{[(3-hydroxy-2-methyl-2H-1,4-benzoxazin-2-yl)carbonyl]amino}-1,3-dimethyl-1H-pyrazole-5-carboxylate

Catalog ID
STK937502
SMILES COC(=O)c1n(C)nc(c1NC(=O)C1(C)Oc2ccccc2N=C1O)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 C17H18N4O5 MW 358.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O5/c1-9-12(13(14(22)25-4)21(3)20-9)19-16(24)17(2)15(23)18-10-7-5-6-8-11(10)26-17/h5-8H,1-4H3,(H,18,23)(H,19,24)
InChIKey
WVHJIKRDBHEKPB-UHFFFAOYSA-N
Synonyms
1190286-42-0
1190286420
CC1=NN(C(=C1NC(=O)C2(C(=O)NC3=CC=CC=C3O2)C)C(=O)OC)C
InChI=1SC17H18N4O5c1912(13(14(22)254)21(3)209)1916(24)17(2)15(23)1810756811(10)2617h58H14H3(H1823)(H1924)
methyl25dimethyl4((2methyl3oxo4H14benzoxazine2carbonyl)amino)pyrazole3carboxylate
methyl4(((3hydroxy2methyl2H14benzoxazin2yl)carbonyl)amino)13dimethyl1Hpyrazole5carboxylate
MFCD18178698
ZINC000036359592
ZINC000036359593

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Available files

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