Vitas-M small molecule compound
(4Z)-4-{3-ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzylidene}-2-(naphthalen-2-yl)-1,3-oxazol-5(4H)-one
Catalog ID
STL171353
SMILES CCOc1cc(/C=C/2\N=C(OC2=O)c2ccc3c(c2)cccc3)cc(c1OCc1ccc(cc1)[N+](=O)[O-])I
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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 C29H21IN2O6 MW 620.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21IN2O6/c1-2-36-26-15-19(13-24(30)27(26)37-17-18-7-11-23(12-8-18)32(34)35)14-25-29(33)38-28(31-25)22-10-9-20-5-3-4-6-21(20)16-22/h3-16H,2,17H2,1H3/b25-14-InChIKey
KPPIIXFLSYDBGY-QFEZKATASA-NSynonyms
(4Z)4((3ETHOXY5IODO4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2NAPHTHALEN2YL13OXAZOL5ONE
(4Z)4(3ethoxy5iodo4((4nitrobenzyl)oxy)benzylidene)2(naphthalen2yl)13oxazol5(4H)one
4(3ETHOXY4((4NITROBENZYL)OXY)5IODOBENZYLIDENE)2(2NAPHTHYL)13OXAZOL5(4H)ONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)OC(=N2)C3=CC4=CC=CC=C4C=C3)I)OCC5=CC=C(C=C5)(N+)(=O)(O)
CCOc1cc(C=C2N=C(OC2=O)c2ccc3c(c2)cccc3)cc(c1OCc1ccc(cc1)(N+)(=O)(O))I
InChI=1SC29H21IN2O6c1236261519(1324(30)27(26)37171871123(12818)32(34)35)142529(33)3828(3125)2210920534621(20)1622h316H217H21H3b2514
MFCD01834468
ZINC000008431019
ZINC08431019
ZINC8431019
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