Vitas-M small molecule compound
1,6-dimethyl-3-[(E)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione 4-oxide
Catalog ID
STK182608
SMILES [O-][n+]1c(/C=C/c2ccccc2)nn(c2c1c(=O)n(c(=O)n2)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 C15H13N5O3 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N5O3/c1-18-14(21)12-13(16-15(18)22)19(2)17-11(20(12)23)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+InChIKey
DLRRBXLWLFJWPF-CMDGGOBGSA-NSynonyms
(O)(n+)1c(C=Cc2ccccc2)nn(c2c1c(=O)n(c(=O)n2)C)C
16DIMETHYL3((E)2PHENYLETHENYL)PYRIMIDO(54E)(124)TRIAZINE57(1H6H)DIONE4OXIDE
16DIMETHYL4OXIDO3((E)2PHENYLETHENYL)PYRIMIDO(54E)(124)TRIAZIN4IUM57DIONE
16DIMETHYL4OXY3((E)STYRYL)1HPYRIMIDO(54E)(124)TRIAZINE57DIONE
3((1E)2PHENYLVINYL)4HYDROXY16DIMETHYL6HYDROPYRIMIDINO(54E)124TRIAZINE57DIONE
CN1C2=NC(=O)N(C(=O)C2=(N+)(C(=N1)C=CC3=CC=CC=C3)(O))C
InChI=1SC15H13N5O3c11814(21)1213(1615(18)22)19(2)1711(20(12)23)98106435710h39H12H3b98+
MFCD04966770
ZINC000004512021
ZINC4512021
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