Vitas-M small molecule compound
(4Z)-4-{3-bromo-5-ethoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Catalog ID
STK380365
SMILES CCOc1cc(/C=C/2\N=C(OC2=O)c2cccs2)cc(c1OCc1cccc(c1)[N+](=O)[O-])Br
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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 C23H17BrN2O6S MW 529.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN2O6S/c1-2-30-19-12-15(11-18-23(27)32-22(25-18)20-7-4-8-33-20)10-17(24)21(19)31-13-14-5-3-6-16(9-14)26(28)29/h3-12H,2,13H2,1H3/b18-11-InChIKey
KOEYODHKEHQRTH-WQRHYEAKSA-NSynonyms
(4Z)4((3BROMO5ETHOXY4((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2THIOPHEN2YL13OXAZOL5ONE
(4Z)4(3bromo5ethoxy4((3nitrobenzyl)oxy)benzylidene)2(thiophen2yl)13oxazol5(4H)one
4((3BROMO5ETHOXY4((3NITROPHENYL)METHOXY)PHENYL)METHYLENE)2(2THIENYL)13OXAZOLIN5ONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CS3)Br)OCC4=CC(=CC=C4)(N+)(=O)(O)
CCOc1cc(C=C2N=C(OC2=O)c2cccs2)cc(c1OCc1cccc(c1)(N+)(=O)(O))Br
InChI=1SC23H17BrN2O6Sc1230191215(111823(27)3222(2518)207483320)1017(24)21(19)31131453616(914)26(28)29h312H213H21H3b1811
MFCD02188334
ZINC000100230826
ZINC100230826
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