Vitas-M small molecule compound
2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358700
SMILES COc1ccc(cc1OC)/C=C\c1nc(O)c(c(=O)[nH]1)[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 C14H13N3O6 MW 319.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O6/c1-22-9-5-3-8(7-10(9)23-2)4-6-11-15-13(18)12(17(20)21)14(19)16-11/h3-7H,1-2H3,(H2,15,16,18,19)/b6-4-InChIKey
NFKPCTDRYBBUQA-XQRVVYSFSA-NSynonyms
797778-69-92((1Z)2(34DIMETHOXYPHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
2((Z)2(34DIMETHOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
2((Z)2(34dimethoxyphenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((Z)2(34DIMETHOXYPHENYL)VINYL)6HYDROXY5NITRO3HPYRIMIDIN4ONE
797778699
COC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OC
COc1ccc(cc1OC)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC14H13N3O6c1229538(710(9)232)46111513(18)12(17(20)21)14(19)1611h37H12H3(H215161819)b64
MFCD06010581
ZINC000013482066
ZINC13482066
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