Vitas-M small molecule compound
(4Z)-2-(2-chloro-5-nitrophenyl)-4-(3-ethoxy-4-propoxybenzylidene)-1,3-oxazol-5(4H)-one
Catalog ID
STK537665
SMILES CCCOc1ccc(cc1OCC)/C=C/1\N=C(OC1=O)c1cc(ccc1Cl)[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 C21H19ClN2O6 MW 430.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O6/c1-3-9-29-18-8-5-13(11-19(18)28-4-2)10-17-21(25)30-20(23-17)15-12-14(24(26)27)6-7-16(15)22/h5-8,10-12H,3-4,9H2,1-2H3/b17-10-InChIKey
ZPTJOHJGUBJDFU-YVLHZVERSA-NSynonyms
(4Z)2(2CHLORO5NITROPHENYL)4((3ETHOXY4PROPOXYPHENYL)METHYLIDENE)13OXAZOL5ONE
(4Z)2(2chloro5nitrophenyl)4(3ethoxy4propoxybenzylidene)13oxazol5(4H)one
(Z)2(2chloro5nitrophenyl)4(3ethoxy4propoxybenzylidene)oxazol5(4H)one
CCCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)OCC
CCCOc1ccc(cc1OCC)C=C1N=C(OC1=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC21H19ClN2O6c13929188513(1119(18)2842)101721(25)3020(2317)151214(24(26)27)6716(15)22h581012H349H212H3b1710
MFCD01054493
ZINC000001756419
ZINC01756419
ZINC1756419
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