Vitas-M small molecule compound
tert-butyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK601937
SMILES O=C1NC(=C(C(N1)c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)(C)C)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 C16H19N3O5 MW 333.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O5/c1-9-12(14(20)24-16(2,3)4)13(18-15(21)17-9)10-6-5-7-11(8-10)19(22)23/h5-8,13H,1-4H3,(H2,17,18,21)InChIKey
IAMIPEILBNVEOT-UHFFFAOYSA-NSynonyms
112080-28-1112080281
CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OC(C)(C)C
InChI=1SC16H19N3O5c1912(14(20)2416(23)4)13(1815(21)179)1065711(810)19(22)23h5813H14H3(H2171821)
MFCD02844940
O=C1NC(=C(C(N1)c1cccc(c1)(N+)(=O)(O))C(=O)OC(C)(C)C)C
tertbutyl6methyl4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
TERTBUTYL6METHYL4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ZINC000000523426
ZINC000000523427
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