Vitas-M small molecule compound
1-{2-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-4-nitrophenyl}piperidine-4-carboxamide
Catalog ID
STK761462
SMILES NC(=O)C1CCN(CC1)c1ccc(cc1C=C1C(=O)N(C)C(=O)N(C1=O)C)[N+](=O)[O-]
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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 C19H21N5O6 MW 415.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O6/c1-21-17(26)14(18(27)22(2)19(21)28)10-12-9-13(24(29)30)3-4-15(12)23-7-5-11(6-8-23)16(20)25/h3-4,9-11H,5-8H2,1-2H3,(H2,20,25)InChIKey
AKUILZCAGOWXSQ-UHFFFAOYSA-NSynonyms
1(2((13DIMETHYL246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)4NITROPHENYL)PIPERIDINE4CARBOXAMIDE
1(2((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)4NITROPHENYL)PIPERIDINE4CARBOXAMIDE
1(2((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)4nitrophenyl)piperidine4carboxamide
CN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))N3CCC(CC3)C(=O)N)C(=O)N(C1=O)C
InChI=1SC19H21N5O6c12117(26)14(18(27)22(2)19(21)28)1012913(24(29)30)3415(12)237511(6823)16(20)25h34911H58H212H3(H22025)
MFCD01618826
NC(=O)C1CCN(CC1)c1ccc(cc1C=C1C(=O)N(C)C(=O)N(C1=O)C)(N+)(=O)(O)
ZINC000004030404
ZINC04030404
ZINC4030404
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