Vitas-M small molecule compound
1-{2-nitro-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl}piperidine-4-carboxamide
Catalog ID
STK764037
SMILES O=C1NC(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCC(CC2)C(=O)N)C(=O)N1
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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 C17H17N5O6 MW 387.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O6/c18-14(23)10-3-5-21(6-4-10)12-2-1-9(8-13(12)22(27)28)7-11-15(24)19-17(26)20-16(11)25/h1-2,7-8,10H,3-6H2,(H2,18,23)(H2,19,20,24,25,26)InChIKey
VLXQXWMFHQUOIG-UHFFFAOYSA-NSynonyms
1(2NITRO4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)PIPERIDINE4CARBOXAMIDE
1(2nitro4((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl)piperidine4carboxamide
C1CN(CCC1C(=O)N)C2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)(N+)(=O)(O)
InChI=1SC17H17N5O6c1814(23)103521(6410)12219(813(12)22(27)28)71115(24)1917(26)2016(11)25h127810H36H2(H21823)(H21920242526)
MFCD02039635
O=C1NC(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))N2CCC(CC2)C(=O)N)C(=O)N1
ZINC000004030406
ZINC4030406
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