Vitas-M small molecule compound
6-hydroxy-5-nitro-2-{(E)-2-[3-(prop-2-en-1-yloxy)phenyl]ethenyl}pyrimidin-4(3H)-one
Catalog ID
STL358783
SMILES C=CCOc1cccc(c1)/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 C15H13N3O5 MW 315.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O5/c1-2-8-23-11-5-3-4-10(9-11)6-7-12-16-14(19)13(18(21)22)15(20)17-12/h2-7,9H,1,8H2,(H2,16,17,19,20)/b7-6+InChIKey
KVEDDWFVRLPKGP-VOTSOKGWSA-NSynonyms
4HYDROXY5NITRO2((E)2(3PROP2ENOXYPHENYL)ETHENYL)1HPYRIMIDIN6ONE
6hydroxy5nitro2((E)2(3(prop2en1yloxy)phenyl)ethenyl)pyrimidin4(3H)one
C=CCOC1=CC=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O
C=CCOc1cccc(c1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC15H13N3O5c128231153410(911)67121614(19)13(18(21)22)15(20)1712h279H18H2(H216171920)b76+
MFCD07037492
ZINC000009234983
ZINC9234983
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