Vitas-M small molecule compound
1,3-dimethyl-5-nitro-6-[(E)-2-(pyrrolidin-1-yl)ethenyl]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STK095702
SMILES O=c1n(C)c(/C=C/N2CCCC2)c(c(=O)n1C)[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 C12H16N4O4 MW 280.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O4/c1-13-9(5-8-15-6-3-4-7-15)10(16(19)20)11(17)14(2)12(13)18/h5,8H,3-4,6-7H2,1-2H3/b8-5+InChIKey
BMTQSPHIKNZHCZ-VMPITWQZSA-NSynonyms
13DIMETHYL5NITRO6((E)2(PYRROLIDIN1YL)ETHENYL)PYRIMIDINE24(1H3H)DIONE
13DIMETHYL5NITRO6((E)2PYRROLIDIN1YLETHENYL)PYRIMIDINE24DIONE
CN1C(=C(C(=O)N(C1=O)C)(N+)(=O)(O))C=CN2CCCC2
InChI=1SC12H16N4O4c1139(5815634715)10(16(19)20)11(17)14(2)12(13)18h58H3467H212H3b85+
MFCD03032850
O=c1n(C)c(C=CN2CCCC2)c(c(=O)n1C)(N+)(=O)(O)
STK095702
ZINC000050004522
ZINC50004522
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