Vitas-M small molecule compound
3-butyl-7-chloro-2-(3-nitrophenyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Catalog ID
STK828855
SMILES CCCCn1c(nc2c(c1=O)c(=O)c1c(o2)ccc(c1)Cl)c1cccc(c1)[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 C21H16ClN3O5 MW 425.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O5/c1-2-3-9-24-19(12-5-4-6-14(10-12)25(28)29)23-20-17(21(24)27)18(26)15-11-13(22)7-8-16(15)30-20/h4-8,10-11H,2-3,9H2,1H3InChIKey
CUCHVGMPNBDIRV-UHFFFAOYSA-NSynonyms
879443-31-93BUTYL7CHLORO2(3NITROPHENYL)3HCHROMENO(23D)PYRIMIDINE45DIONE
3butyl7chloro2(3nitrophenyl)4Hchromeno(23d)pyrimidine45(3H)dione
3BUTYL7CHLORO2(3NITROPHENYL)CHROMENO(23D)PYRIMIDINE45DIONE
879443319
CCCCN1C(=NC2=C(C1=O)C(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC(=CC=C4)(N+)(=O)(O)
CCCCn1c(nc2c(c1=O)c(=O)c1c(o2)ccc(c1)Cl)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H16ClN3O5c12392419(1254614(1012)25(28)29)232017(21(24)27)18(26)151113(22)7816(15)3020h481011H239H21H3
MFCD06602528
ZINC000002235561
ZINC02235561
ZINC2235561
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