Vitas-M small molecule compound
3-butyl-7-chloro-2-(3,5-dinitrophenyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Catalog ID
STK990968
SMILES CCCCn1c(nc2c(c1=O)c(=O)c1c(o2)ccc(c1)Cl)c1cc(cc(c1)[N+](=O)[O-])[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 C21H15ClN4O7 MW 470.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN4O7/c1-2-3-6-24-19(11-7-13(25(29)30)10-14(8-11)26(31)32)23-20-17(21(24)28)18(27)15-9-12(22)4-5-16(15)33-20/h4-5,7-10H,2-3,6H2,1H3InChIKey
KKZRRHZZNDDBSN-UHFFFAOYSA-NSynonyms
3butyl7chloro2(35dinitrophenyl)4Hchromeno(23d)pyrimidine45(3H)dione
3butyl7chloro2(35dinitrophenyl)chromeno(23d)pyrimidine45dione
CCCCN1C(=NC2=C(C1=O)C(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O)
CCCCn1c(nc2c(c1=O)c(=O)c1c(o2)ccc(c1)Cl)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H15ClN4O7c12362419(11713(25(29)30)1014(811)26(31)32)232017(21(24)28)18(27)15912(22)4516(15)3320h45710H236H21H3
MFCD07801745
ZINC000008836299
ZINC08836299
ZINC8836299
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