Vitas-M small molecule compound
cycloheptyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK364082
SMILES O=C1NC(=C(C(N1)c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCCCC1)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 C19H23N3O5 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O5/c1-12-16(18(23)27-15-9-4-2-3-5-10-15)17(21-19(24)20-12)13-7-6-8-14(11-13)22(25)26/h6-8,11,15,17H,2-5,9-10H2,1H3,(H2,20,21,24)InChIKey
DHRNPMZROOVHLT-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OC3CCCCCC3
CYCLOHEPTYL4METHYL6(3NITROPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
cycloheptyl6methyl4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
CYCLOHEPTYL6METHYL4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC19H23N3O5c11216(18(23)2715942351015)17(2119(24)2012)1376814(1113)22(25)26h68111517H25910H21H3(H2202124)
MFCD00354823
O=C1NC(=C(C(N1)c1cccc(c1)(N+)(=O)(O))C(=O)OC1CCCCCC1)C
ZINC000000832321
ZINC000000832322
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