Vitas-M small molecule compound
cyclooctyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK363941
SMILES O=C1NC(=C(C(N1)c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCCCCC1)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 C20H25N3O5 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5/c1-13-17(19(24)28-16-10-5-3-2-4-6-11-16)18(22-20(25)21-13)14-8-7-9-15(12-14)23(26)27/h7-9,12,16,18H,2-6,10-11H2,1H3,(H2,21,22,25)InChIKey
PLGHAXZVKIYRNN-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OC3CCCCCCC3
CYCLOOCTYL4METHYL6(3NITROPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
cyclooctyl6methyl4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
CYCLOOCTYL6METHYL4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC20H25N3O5c11317(19(24)281610532461116)18(2220(25)2113)1487915(1214)23(26)27h79121618H261011H21H3(H2212225)
MFCD00630147
O=C1NC(=C(C(N1)c1cccc(c1)(N+)(=O)(O))C(=O)OC1CCCCCCC1)C
ZINC000000973451
ZINC000000973452
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