Vitas-M small molecule compound
(4E)-2-(2-chloro-4-nitrophenyl)-4-(2,4-dipropoxybenzylidene)-1,3-oxazol-5(4H)-one
Catalog ID
STK957344
SMILES CCCOc1cc(OCCC)ccc1/C=C\1/N=C(OC1=O)c1ccc(cc1Cl)[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 C22H21ClN2O6 MW 444.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O6/c1-3-9-29-16-7-5-14(20(13-16)30-10-4-2)11-19-22(26)31-21(24-19)17-8-6-15(25(27)28)12-18(17)23/h5-8,11-13H,3-4,9-10H2,1-2H3/b19-11+InChIKey
YYBYQQBRDKSIQE-YBFXNURJSA-NSynonyms
354546-09-1(4E)2(2CHLORO4NITROPHENYL)4((24DIPROPOXYPHENYL)METHYLIDENE)13OXAZOL5ONE
(4E)2(2chloro4nitrophenyl)4(24dipropoxybenzylidene)13oxazol5(4H)one
2(2CHLORO4NITROPHENYL)4(24DIPROPOXYBENZYLIDENE)13OXAZOL5(4H)ONE
354546091
CCCOC1=CC(=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)OCCC
CCCOc1cc(OCCC)ccc1C=C1N=C(OC1=O)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC22H21ClN2O6c13929167514(20(1316)301042)111922(26)3121(2419)178615(25(27)28)1218(17)23h581113H34910H212H3b1911+
MFCD01447384
ZINC000002095460
ZINC02095460
ZINC2095460
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