Vitas-M small molecule compound
3-(4-chloro-5-methyl-1H-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide
Catalog ID
STK310595
SMILES O=C(Nc1cc(cc(c1)[N+](=O)[O-])Oc1cc(C)cc(c1C)C)CCn1ncc(c1C)Cl
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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 C22H23ClN4O4 MW 442.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O4/c1-13-7-14(2)15(3)21(8-13)31-19-10-17(9-18(11-19)27(29)30)25-22(28)5-6-26-16(4)20(23)12-24-26/h7-12H,5-6H2,1-4H3,(H,25,28)InChIKey
MWHBAAHUCSNEIK-UHFFFAOYSA-NSynonyms
1005657-69-11005657691
3(4chloro5methyl1Hpyrazol1yl)N(3nitro5(235trimethylphenoxy)phenyl)propanamide
3(4chloro5methylpyrazol1yl)N(3nitro5(235trimethylphenoxy)phenyl)propanamide
CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)CCN3C(=C(C=N3)Cl)C)C)C
InChI=1SC22H23ClN4O4c113714(2)15(3)21(813)31191017(918(1119)27(29)30)2522(28)562616(4)20(23)122426h712H56H214H3(H2528)
MFCD04136166
O=C(Nc1cc(cc(c1)(N+)(=O)(O))Oc1cc(C)cc(c1C)C)CCn1ncc(c1C)Cl
ZINC000013960131
ZINC13960131
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