Vitas-M small molecule compound
5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175271
SMILES O=C1NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])C)C)C(=O)N1
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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 C18H16N4O5 MW 368.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O5/c1-9-4-5-13(8-15(9)22(26)27)21-10(2)6-12(11(21)3)7-14-16(23)19-18(25)20-17(14)24/h4-8H,1-3H3,(H2,19,20,23,24,25)InChIKey
XUZFLFIHMOQHIT-UHFFFAOYSA-NSynonyms
5((25DIMETHYL1(4METHYL3NITROPHENYL)1HPYRROL3YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
5((25DIMETHYL1(4METHYL3NITROPHENYL)PYRROL3YL)METHYLIDENE)13DIAZINANE246TRIONE
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)NC3=O)C)(N+)(=O)(O)
InChI=1SC18H16N4O5c194513(815(9)22(26)27)2110(2)612(11(21)3)71416(23)1918(25)2017(14)24h48H13H3(H21920232425)
MFCD03711441
O=C1NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)(N+)(=O)(O))C)C)C(=O)N1
ZINC000001161801
ZINC1161801
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