Vitas-M small molecule compound

methyl 6-methyl-4-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK876808
SMILES COC(=O)C1=C(C)NC(=O)NC1c1cn(nc1c1cccc(c1)[N+](=O)[O-])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 C22H19N5O5 MW 433.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O5/c1-13-18(21(28)32-2)20(24-22(29)23-13)17-12-26(15-8-4-3-5-9-15)25-19(17)14-7-6-10-16(11-14)27(30)31/h3-12,20H,1-2H3,(H2,23,24,29)
InChIKey
HTHPMOWMRHIOPB-UHFFFAOYSA-N
Synonyms
431909-83-0
431909830
CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)NC(=O)NC1c1cn(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1
InChI=1SC22H19N5O5c11318(21(28)322)20(2422(29)2313)171226(158435915)2519(17)14761016(1114)27(30)31h31220H12H3(H2232429)
METHYL4METHYL6(3(3NITROPHENYL)1PHENYLPYRAZOL4YL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
methyl6methyl4(3(3nitrophenyl)1phenyl1Hpyrazol4yl)2oxo1234tetrahydropyrimidine5carboxylate
METHYL6METHYL4(3(3NITROPHENYL)1PHENYLPYRAZOL4YL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD01459490
ZINC000001087567
ZINC000001087568

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Available files

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